REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2wgh_1_B DATA FIRST_RESID 78 DATA SEQUENCE AARIAVSNLH KETKKVFSDV MEDLYNYINP HNGKHSPMVA KSTLDIVLAN DATA SEQUENCE KDRLNSAIIY DRDFSYNYFG FKTLERSYLL KINGKVAERP QHMLMRVSVG DATA SEQUENCE IHKEDIDAAI ETYNLLSERW FTHASPTLFN AGTNRPQLSS CFLLSMKDDS DATA SEQUENCE IEGIYDTLKQ CALISKSAGG IGVAVSCIRA TGSYIAGTNG NSNGLVPMLR DATA SEQUENCE VYNNTARYVD QGGNKRPGAF AIYLEPWHLD IFEFLDLKKN TGKEEQRARD DATA SEQUENCE LFFALWIPDL FMKRVETNQD WSLMCPNECP GLDEVWGEEF EKLYASYEKQ DATA SEQUENCE GRVRKVVKAQ QLWYAIIESQ TETGTPYMLY KDSCNRKSNQ QNLGTIKCSN DATA SEQUENCE LCTEIVEYTS KDEVAVCNLA SLALNMYVTS EHTYDFKKLA EVTKVVVRNL DATA SEQUENCE NKIIDINYYP VPEACLSNKR HRPIGIGVQG LADAFILMRY PFESAEAQLL DATA SEQUENCE NKQIFETIYY GALEASCDLA KEQGPYETYE GSPVSKGILQ YDMWNVTPTD DATA SEQUENCE LWDWKVLKEK IAKYGIRNSL LIAPMPTAST AQILGNNESI EPYTSNIYXX DATA SEQUENCE XXXXXXXQIV NPHLLKDLTE RGLWXEEMKN QIIACNGSIQ SIPEIPDDLK DATA SEQUENCE QLYKTVWEIS QKTVLKMAAE RGAFIDQSQS LNIHIAEPNY GKLTSMHFYG DATA SEQUENCE WKQGLKTGMY YLRTRAH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 78 A HA 0.000 nan 4.320 nan 0.000 0.244 78 A C 0.000 177.612 177.584 0.047 0.000 1.274 78 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 78 A CB 0.000 18.915 19.000 -0.142 0.000 0.831 79 A N 0.294 123.150 122.820 0.060 0.000 2.014 79 A HA 0.025 4.346 4.320 0.002 0.000 0.218 79 A C 2.006 179.567 177.584 -0.038 0.000 1.163 79 A CA 1.620 53.706 52.037 0.081 0.000 0.652 79 A CB -0.478 18.554 19.000 0.054 0.000 0.808 79 A HN 0.445 nan 8.150 nan 0.000 0.449 80 R N -0.516 120.006 120.500 0.037 0.000 2.073 80 R HA -0.092 4.249 4.340 0.002 0.000 0.234 80 R C 1.934 178.284 176.300 0.083 0.000 1.134 80 R CA 1.699 57.891 56.100 0.153 0.000 0.952 80 R CB -0.428 29.948 30.300 0.127 0.000 0.850 80 R HN 0.579 nan 8.270 nan 0.000 0.433 81 I N 0.467 121.063 120.570 0.043 0.000 2.127 81 I HA -0.306 3.865 4.170 0.002 0.000 0.241 81 I C 2.579 178.694 176.117 -0.003 0.000 1.075 81 I CA 1.523 62.843 61.300 0.033 0.000 1.334 81 I CB -0.408 37.616 38.000 0.041 0.000 1.040 81 I HN 0.207 nan 8.210 nan 0.000 0.405 82 A N 0.212 123.030 122.820 -0.003 0.000 1.948 82 A HA -0.183 4.138 4.320 0.002 0.000 0.220 82 A C 2.402 179.879 177.584 -0.179 0.000 1.177 82 A CA 2.230 54.268 52.037 0.001 0.000 0.636 82 A CB -1.007 18.048 19.000 0.092 0.000 0.815 82 A HN 0.290 nan 8.150 nan 0.000 0.449 83 V N 0.537 120.135 119.914 -0.526 0.000 2.407 83 V HA -0.173 3.949 4.120 0.002 0.000 0.245 83 V C 2.878 178.562 176.094 -0.684 0.000 1.041 83 V CA 2.134 63.873 62.300 -0.934 0.000 1.040 83 V CB -0.856 30.001 31.823 -1.610 0.000 0.671 83 V HN 0.789 nan 8.190 nan 0.000 0.455 84 S N 0.399 115.889 115.700 -0.349 0.000 2.453 84 S HA -0.151 4.320 4.470 0.002 0.000 0.231 84 S C 1.762 176.362 174.600 0.000 0.000 1.005 84 S CA 1.147 59.291 58.200 -0.094 0.000 0.949 84 S CB -0.542 62.727 63.200 0.114 0.000 0.774 84 S HN 0.559 nan 8.310 nan 0.000 0.510 85 N N 1.982 120.678 118.700 -0.007 0.000 2.058 85 N HA 0.003 4.744 4.740 0.002 0.000 0.191 85 N C 1.609 177.168 175.510 0.081 0.000 1.037 85 N CA 1.228 54.306 53.050 0.048 0.000 0.848 85 N CB -0.879 37.641 38.487 0.056 0.000 1.021 85 N HN 0.342 nan 8.380 nan 0.000 0.422 86 L N 1.132 122.411 121.223 0.093 0.000 2.127 86 L HA -0.153 4.188 4.340 0.002 0.000 0.211 86 L C 1.950 178.962 176.870 0.236 0.000 1.089 86 L CA 1.686 56.630 54.840 0.173 0.000 0.757 86 L CB -0.496 41.733 42.059 0.282 0.000 0.899 86 L HN 0.361 nan 8.230 nan 0.000 0.434 87 H N -1.361 117.729 119.070 0.033 0.000 2.403 87 H HA -0.083 4.474 4.556 0.002 0.000 0.298 87 H C 2.056 177.398 175.328 0.024 0.000 1.059 87 H CA 0.815 56.874 56.048 0.018 0.000 1.363 87 H CB 0.269 30.038 29.762 0.013 0.000 1.410 87 H HN 0.311 nan 8.280 nan 0.000 0.528 88 K N 0.683 121.183 120.400 0.166 0.000 2.044 88 K HA -0.137 4.184 4.320 0.002 0.000 0.210 88 K C 1.298 177.945 176.600 0.080 0.000 1.049 88 K CA 1.185 57.531 56.287 0.098 0.000 0.927 88 K CB 0.124 32.672 32.500 0.079 0.000 0.713 88 K HN 0.223 nan 8.250 nan 0.000 0.443 89 E N 0.748 121.002 120.200 0.090 0.000 2.403 89 E HA 0.003 4.354 4.350 0.002 0.000 0.187 89 E C -0.097 176.549 176.600 0.076 0.000 1.073 89 E CA 0.337 56.781 56.400 0.074 0.000 0.888 89 E CB 0.296 30.038 29.700 0.070 0.000 1.035 89 E HN 0.370 nan 8.360 nan 0.000 0.471 90 T N -2.596 112.007 114.554 0.081 0.000 2.923 90 T HA 0.404 4.755 4.350 0.002 0.000 0.311 90 T C -0.190 174.540 174.700 0.049 0.000 1.183 90 T CA -1.066 61.083 62.100 0.082 0.000 1.020 90 T CB 2.071 71.020 68.868 0.136 0.000 1.165 90 T HN -0.221 nan 8.240 nan 0.000 0.482 91 K N 1.983 122.409 120.400 0.043 0.000 2.401 91 K HA 0.114 4.435 4.320 0.002 0.000 0.278 91 K C 1.329 177.943 176.600 0.024 0.000 1.018 91 K CA -0.514 55.780 56.287 0.012 0.000 0.981 91 K CB 1.200 33.694 32.500 -0.009 0.000 0.933 91 K HN 0.748 nan 8.250 nan 0.000 0.477 92 K N 2.378 122.738 120.400 -0.066 0.000 1.965 92 K HA -0.096 4.225 4.320 0.002 0.000 0.214 92 K C 0.257 176.885 176.600 0.047 0.000 1.046 92 K CA 0.955 57.121 56.287 -0.202 0.000 0.944 92 K CB 0.018 32.364 32.500 -0.257 0.000 0.726 92 K HN 0.346 nan 8.250 nan 0.000 0.441 93 V N 3.164 123.112 119.914 0.057 0.000 2.509 93 V HA -0.119 4.002 4.120 0.002 0.000 0.297 93 V C 1.162 177.332 176.094 0.127 0.000 1.014 93 V CA 0.222 62.606 62.300 0.141 0.000 1.127 93 V CB 0.135 31.997 31.823 0.066 0.000 0.925 93 V HN 0.352 nan 8.190 nan 0.000 0.480 94 F N 4.979 124.995 119.950 0.110 0.000 2.095 94 F HA -0.222 4.306 4.527 0.002 0.000 0.298 94 F C 2.571 178.310 175.800 -0.102 0.000 1.104 94 F CA 2.182 60.153 58.000 -0.048 0.000 1.232 94 F CB -0.420 38.658 39.000 0.130 0.000 0.987 94 F HN 0.624 nan 8.300 nan 0.000 0.475 95 S N -0.320 115.256 115.700 -0.206 0.000 2.402 95 S HA -0.230 4.241 4.470 0.002 0.000 0.233 95 S C 1.689 176.134 174.600 -0.259 0.000 1.030 95 S CA 1.538 59.556 58.200 -0.304 0.000 1.003 95 S CB -0.805 62.329 63.200 -0.109 0.000 0.813 95 S HN 0.457 nan 8.310 nan 0.000 0.477 96 D N 1.538 121.834 120.400 -0.174 0.000 2.103 96 D HA 0.023 4.664 4.640 0.002 0.000 0.199 96 D C 2.167 178.376 176.300 -0.152 0.000 0.978 96 D CA 0.954 54.880 54.000 -0.123 0.000 0.829 96 D CB -0.680 40.077 40.800 -0.072 0.000 0.981 96 D HN 0.325 nan 8.370 nan 0.000 0.464 97 V N 1.263 121.041 119.914 -0.227 0.000 2.392 97 V HA -0.251 3.870 4.120 0.002 0.000 0.249 97 V C 2.410 178.385 176.094 -0.198 0.000 1.059 97 V CA 1.173 63.344 62.300 -0.214 0.000 1.051 97 V CB -0.366 31.256 31.823 -0.336 0.000 0.658 97 V HN 0.207 nan 8.190 nan 0.000 0.455 98 M N -0.534 118.867 119.600 -0.331 0.000 2.117 98 M HA -0.179 4.302 4.480 0.002 0.000 0.262 98 M C 2.143 178.387 176.300 -0.094 0.000 1.065 98 M CA 1.577 56.719 55.300 -0.264 0.000 1.114 98 M CB -1.265 31.061 32.600 -0.456 0.000 1.361 98 M HN 0.429 nan 8.290 nan 0.000 0.408 99 E N 0.427 120.575 120.200 -0.087 0.000 2.058 99 E HA -0.225 4.126 4.350 0.002 0.000 0.194 99 E C 1.500 178.145 176.600 0.075 0.000 0.997 99 E CA 1.528 57.938 56.400 0.017 0.000 0.801 99 E CB -0.044 29.650 29.700 -0.009 0.000 0.746 99 E HN 0.468 nan 8.360 nan 0.000 0.450 100 D N 0.226 120.643 120.400 0.029 0.000 2.218 100 D HA -0.134 4.507 4.640 0.002 0.000 0.204 100 D C 1.912 178.273 176.300 0.102 0.000 0.976 100 D CA 0.686 54.723 54.000 0.062 0.000 0.853 100 D CB -0.120 40.700 40.800 0.032 0.000 0.939 100 D HN 0.190 nan 8.370 nan 0.000 0.481 101 L N -0.661 120.604 121.223 0.070 0.000 2.023 101 L HA -0.149 4.192 4.340 0.002 0.000 0.205 101 L C 2.359 179.315 176.870 0.142 0.000 1.073 101 L CA 0.905 55.783 54.840 0.063 0.000 0.745 101 L CB -0.465 41.606 42.059 0.020 0.000 0.900 101 L HN 0.010 nan 8.230 nan 0.000 0.435 102 Y N 1.419 121.752 120.300 0.056 0.000 2.089 102 Y HA -0.224 4.327 4.550 0.002 0.000 0.282 102 Y C 2.297 178.357 175.900 0.266 0.000 1.139 102 Y CA 1.639 59.802 58.100 0.105 0.000 1.123 102 Y CB -0.345 38.160 38.460 0.074 0.000 0.980 102 Y HN 0.190 nan 8.280 nan 0.000 0.493 103 N N -0.052 118.778 118.700 0.216 0.000 2.635 103 N HA -0.184 4.557 4.740 0.002 0.000 0.191 103 N C -0.457 175.127 175.510 0.123 0.000 1.155 103 N CA 0.397 53.510 53.050 0.104 0.000 0.927 103 N CB -0.999 37.536 38.487 0.080 0.000 0.976 103 N HN 0.413 nan 8.380 nan 0.000 0.448 104 Y N 1.256 121.579 120.300 0.038 0.000 2.620 104 Y HA 0.117 4.668 4.550 0.002 0.000 0.330 104 Y C 0.180 176.111 175.900 0.051 0.000 1.186 104 Y CA 0.070 58.180 58.100 0.017 0.000 1.467 104 Y CB 0.213 38.660 38.460 -0.022 0.000 1.262 104 Y HN -0.094 nan 8.280 nan 0.000 0.550 105 I N 6.200 126.313 120.570 -0.761 0.000 2.404 105 I HA 0.155 4.326 4.170 0.002 0.000 0.293 105 I C -0.457 175.098 176.117 -0.936 0.000 0.992 105 I CA -0.942 60.003 61.300 -0.591 0.000 1.149 105 I CB 1.319 39.145 38.000 -0.289 0.000 1.315 105 I HN 0.635 nan 8.210 nan 0.000 0.446 106 N N 8.755 127.161 118.700 -0.489 0.000 2.431 106 N HA 0.149 4.890 4.740 0.002 0.000 0.265 106 N C -1.656 173.775 175.510 -0.132 0.000 1.184 106 N CA -1.873 51.032 53.050 -0.242 0.000 0.943 106 N CB 1.038 39.506 38.487 -0.032 0.000 1.080 106 N HN 0.276 nan 8.380 nan 0.000 0.477 107 P HA -0.186 nan 4.420 nan 0.000 0.215 107 P C 0.815 178.188 177.300 0.122 0.000 1.153 107 P CA 1.557 64.668 63.100 0.018 0.000 0.853 107 P CB 0.143 31.882 31.700 0.066 0.000 0.788 108 H N -0.041 119.014 119.070 -0.024 0.000 2.253 108 H HA -0.125 4.432 4.556 0.002 0.000 0.296 108 H C 2.154 177.467 175.328 -0.025 0.000 1.074 108 H CA 1.612 57.650 56.048 -0.017 0.000 1.263 108 H CB -0.439 29.320 29.762 -0.004 0.000 1.363 108 H HN 0.191 nan 8.280 nan 0.000 0.489 109 N N -0.746 118.023 118.700 0.115 0.000 2.039 109 N HA -0.115 4.626 4.740 0.002 0.000 0.193 109 N C 1.414 176.927 175.510 0.005 0.000 1.044 109 N CA 1.427 54.501 53.050 0.040 0.000 0.847 109 N CB 0.015 38.514 38.487 0.020 0.000 1.030 109 N HN 0.530 nan 8.380 nan 0.000 0.422 110 G N -0.371 108.419 108.800 -0.018 0.000 2.175 110 G HA2 -0.268 3.693 3.960 0.002 0.000 0.244 110 G HA3 -0.268 3.693 3.960 0.002 0.000 0.244 110 G C -0.121 174.754 174.900 -0.042 0.000 0.982 110 G CA -0.161 44.916 45.100 -0.039 0.000 0.641 110 G HN 0.226 nan 8.290 nan 0.000 0.527 111 K N 0.755 121.133 120.400 -0.036 0.000 2.201 111 K HA 0.248 4.569 4.320 0.002 0.000 0.278 111 K C 0.222 176.810 176.600 -0.020 0.000 1.027 111 K CA -0.711 55.565 56.287 -0.019 0.000 0.909 111 K CB 0.555 33.048 32.500 -0.012 0.000 1.062 111 K HN 0.441 nan 8.250 nan 0.000 0.465 112 H N 2.064 121.066 119.070 -0.113 0.000 3.138 112 H HA 0.005 4.562 4.556 0.002 0.000 0.275 112 H C -0.857 174.407 175.328 -0.108 0.000 0.997 112 H CA 0.084 56.045 56.048 -0.145 0.000 1.460 112 H CB 0.354 30.024 29.762 -0.153 0.000 1.524 112 H HN 0.459 nan 8.280 nan 0.000 0.532 113 S N 6.627 122.192 115.700 -0.225 0.000 2.158 113 S HA 0.237 4.708 4.470 0.002 0.000 0.160 113 S C -2.848 171.665 174.600 -0.145 0.000 1.693 113 S CA -1.495 56.605 58.200 -0.167 0.000 1.251 113 S CB 1.138 64.343 63.200 0.008 0.000 1.153 113 S HN 0.572 nan 8.310 nan 0.000 0.439 114 P HA 0.115 nan 4.420 nan 0.000 0.262 114 P C 0.249 177.502 177.300 -0.079 0.000 1.182 114 P CA 0.192 63.116 63.100 -0.294 0.000 0.761 114 P CB 0.306 31.780 31.700 -0.377 0.000 0.795 115 M N 1.973 121.558 119.600 -0.026 0.000 2.428 115 M HA 0.100 4.581 4.480 0.002 0.000 0.239 115 M C 0.380 176.688 176.300 0.012 0.000 1.121 115 M CA 0.188 55.462 55.300 -0.045 0.000 1.019 115 M CB 0.146 32.667 32.600 -0.131 0.000 1.485 115 M HN 0.174 nan 8.290 nan 0.000 0.484 116 V N -3.671 116.292 119.914 0.081 0.000 3.159 116 V HA 0.905 5.026 4.120 0.002 0.000 0.308 116 V C -0.891 175.304 176.094 0.167 0.000 1.190 116 V CA -1.378 60.981 62.300 0.099 0.000 1.037 116 V CB 1.426 33.296 31.823 0.079 0.000 1.060 116 V HN -0.007 nan 8.190 nan 0.000 0.437 117 A N 1.148 124.028 122.820 0.100 0.000 2.301 117 A HA 0.667 4.989 4.320 0.002 0.000 0.298 117 A C 0.992 178.578 177.584 0.004 0.000 1.185 117 A CA -0.052 52.041 52.037 0.094 0.000 0.830 117 A CB 1.087 20.114 19.000 0.047 0.000 1.112 117 A HN 1.121 nan 8.150 nan 0.000 0.508 118 K N 2.077 122.468 120.400 -0.015 0.000 2.097 118 K HA -0.249 4.072 4.320 0.002 0.000 0.214 118 K C 2.064 178.546 176.600 -0.197 0.000 1.052 118 K CA 2.963 59.068 56.287 -0.304 0.000 0.932 118 K CB -0.535 31.899 32.500 -0.110 0.000 0.716 118 K HN 0.837 nan 8.250 nan 0.000 0.455 119 S N -1.071 114.582 115.700 -0.079 0.000 2.383 119 S HA -0.169 4.302 4.470 0.002 0.000 0.227 119 S C 2.118 176.687 174.600 -0.052 0.000 1.026 119 S CA 1.648 59.815 58.200 -0.055 0.000 0.981 119 S CB -1.296 61.892 63.200 -0.019 0.000 0.818 119 S HN 0.618 nan 8.310 nan 0.000 0.472 120 T N 0.722 115.252 114.554 -0.040 0.000 2.857 120 T HA 0.044 4.395 4.350 0.002 0.000 0.266 120 T C 1.763 176.428 174.700 -0.059 0.000 1.048 120 T CA 0.999 63.086 62.100 -0.021 0.000 1.139 120 T CB -0.783 68.093 68.868 0.014 0.000 0.874 120 T HN 0.258 nan 8.240 nan 0.000 0.455 121 L N 1.788 122.935 121.223 -0.125 0.000 2.012 121 L HA -0.073 4.268 4.340 0.002 0.000 0.210 121 L C 2.107 178.884 176.870 -0.155 0.000 1.073 121 L CA 2.249 56.980 54.840 -0.181 0.000 0.748 121 L CB -0.862 41.006 42.059 -0.319 0.000 0.891 121 L HN 0.127 nan 8.230 nan 0.000 0.431 122 D N -0.314 119.992 120.400 -0.157 0.000 2.104 122 D HA -0.204 4.437 4.640 0.002 0.000 0.194 122 D C 2.263 178.525 176.300 -0.063 0.000 0.994 122 D CA 1.947 55.881 54.000 -0.111 0.000 0.830 122 D CB -0.224 40.518 40.800 -0.097 0.000 0.959 122 D HN 0.445 nan 8.370 nan 0.000 0.452 123 I N 0.069 120.614 120.570 -0.041 0.000 2.208 123 I HA -0.240 3.931 4.170 0.002 0.000 0.245 123 I C 2.361 178.479 176.117 0.002 0.000 1.097 123 I CA 0.569 61.864 61.300 -0.008 0.000 1.363 123 I CB -0.132 37.876 38.000 0.013 0.000 1.051 123 I HN -0.083 nan 8.210 nan 0.000 0.413 124 V N 0.884 120.791 119.914 -0.011 0.000 2.407 124 V HA -0.253 3.868 4.120 0.002 0.000 0.248 124 V C 2.293 178.375 176.094 -0.019 0.000 1.055 124 V CA 1.671 63.971 62.300 0.001 0.000 1.049 124 V CB -0.393 31.384 31.823 -0.077 0.000 0.662 124 V HN 0.377 nan 8.190 nan 0.000 0.455 125 L N -0.147 121.046 121.223 -0.049 0.000 2.131 125 L HA -0.030 4.311 4.340 0.002 0.000 0.206 125 L C 2.697 179.555 176.870 -0.020 0.000 1.087 125 L CA 1.233 56.048 54.840 -0.043 0.000 0.767 125 L CB -0.789 41.234 42.059 -0.060 0.000 0.917 125 L HN 0.335 nan 8.230 nan 0.000 0.441 126 A N 0.096 122.906 122.820 -0.016 0.000 2.024 126 A HA -0.147 4.174 4.320 0.002 0.000 0.220 126 A C 1.377 178.965 177.584 0.006 0.000 1.164 126 A CA 1.460 53.494 52.037 -0.006 0.000 0.643 126 A CB -0.331 18.666 19.000 -0.005 0.000 0.806 126 A HN 0.535 nan 8.150 nan 0.000 0.451 127 N N -0.718 117.991 118.700 0.014 0.000 2.497 127 N HA 0.061 4.802 4.740 0.002 0.000 0.284 127 N C 0.573 176.108 175.510 0.041 0.000 1.459 127 N CA 0.324 53.390 53.050 0.026 0.000 0.899 127 N CB 0.671 39.178 38.487 0.033 0.000 1.316 127 N HN 0.746 nan 8.380 nan 0.000 0.500 128 K N -0.103 120.316 120.400 0.033 0.000 2.217 128 K HA -0.022 4.299 4.320 0.002 0.000 0.202 128 K C 0.522 177.155 176.600 0.056 0.000 1.051 128 K CA 0.932 57.249 56.287 0.049 0.000 0.952 128 K CB 0.220 32.733 32.500 0.021 0.000 0.736 128 K HN -0.131 nan 8.250 nan 0.000 0.453 129 D N 1.627 122.050 120.400 0.038 0.000 2.077 129 D HA -0.103 4.538 4.640 0.002 0.000 0.196 129 D C 2.087 178.408 176.300 0.035 0.000 0.986 129 D CA 1.005 55.026 54.000 0.036 0.000 0.829 129 D CB -0.259 40.556 40.800 0.025 0.000 0.983 129 D HN 0.199 nan 8.370 nan 0.000 0.453 130 R N 0.159 120.676 120.500 0.028 0.000 2.096 130 R HA -0.101 4.240 4.340 0.002 0.000 0.240 130 R C 2.586 178.892 176.300 0.011 0.000 1.139 130 R CA 0.926 57.037 56.100 0.018 0.000 0.952 130 R CB -0.419 29.890 30.300 0.015 0.000 0.854 130 R HN 0.196 nan 8.270 nan 0.000 0.436 131 L N 0.385 121.624 121.223 0.028 0.000 2.044 131 L HA -0.170 4.171 4.340 0.002 0.000 0.205 131 L C 2.097 178.966 176.870 -0.002 0.000 1.075 131 L CA 0.976 55.822 54.840 0.009 0.000 0.747 131 L CB -0.506 41.613 42.059 0.099 0.000 0.903 131 L HN 0.183 nan 8.230 nan 0.000 0.435 132 N N 0.088 118.846 118.700 0.095 0.000 2.036 132 N HA -0.180 4.561 4.740 0.002 0.000 0.195 132 N C 1.919 177.467 175.510 0.064 0.000 1.037 132 N CA 1.961 55.093 53.050 0.137 0.000 0.855 132 N CB -0.447 38.129 38.487 0.148 0.000 1.033 132 N HN 0.354 nan 8.380 nan 0.000 0.423 133 S N -0.623 115.102 115.700 0.042 0.000 2.603 133 S HA 0.307 4.778 4.470 0.002 0.000 0.220 133 S C 1.699 176.296 174.600 -0.005 0.000 0.967 133 S CA 0.360 58.582 58.200 0.036 0.000 0.920 133 S CB 0.184 63.409 63.200 0.041 0.000 0.773 133 S HN 0.347 nan 8.310 nan 0.000 0.529 134 A N 1.738 124.523 122.820 -0.058 0.000 2.021 134 A HA 0.363 4.684 4.320 0.002 0.000 0.216 134 A C 1.008 178.509 177.584 -0.139 0.000 1.163 134 A CA 0.064 52.054 52.037 -0.078 0.000 0.676 134 A CB -0.385 18.547 19.000 -0.113 0.000 0.818 134 A HN 0.573 nan 8.150 nan 0.000 0.453 135 I N 0.983 121.370 120.570 -0.305 0.000 2.618 135 I HA 0.075 4.246 4.170 0.002 0.000 0.284 135 I C -0.612 175.331 176.117 -0.291 0.000 1.146 135 I CA 0.561 61.571 61.300 -0.483 0.000 1.425 135 I CB 0.602 38.153 38.000 -0.750 0.000 1.383 135 I HN 0.137 nan 8.210 nan 0.000 0.562 136 I N 7.065 127.556 120.570 -0.132 0.000 2.388 136 I HA 0.116 4.287 4.170 0.002 0.000 0.281 136 I C 0.222 176.305 176.117 -0.058 0.000 1.046 136 I CA -0.316 60.959 61.300 -0.042 0.000 1.187 136 I CB 0.577 38.610 38.000 0.054 0.000 1.351 136 I HN 0.485 nan 8.210 nan 0.000 0.472 137 Y N 2.014 122.377 120.300 0.105 0.000 2.497 137 Y HA -0.195 4.356 4.550 0.002 0.000 0.292 137 Y C 1.927 177.993 175.900 0.277 0.000 1.137 137 Y CA 0.699 58.874 58.100 0.125 0.000 1.285 137 Y CB -0.192 38.281 38.460 0.021 0.000 0.991 137 Y HN 0.531 nan 8.280 nan 0.000 0.556 138 D N 0.076 120.691 120.400 0.358 0.000 2.182 138 D HA -0.149 4.492 4.640 0.002 0.000 0.201 138 D C 1.972 178.457 176.300 0.308 0.000 0.986 138 D CA 1.029 55.250 54.000 0.369 0.000 0.847 138 D CB -0.149 40.748 40.800 0.161 0.000 0.942 138 D HN 0.305 nan 8.370 nan 0.000 0.467 139 R N 0.329 120.926 120.500 0.162 0.000 2.152 139 R HA -0.112 4.229 4.340 0.002 0.000 0.232 139 R C 1.416 177.741 176.300 0.042 0.000 1.117 139 R CA 0.936 57.063 56.100 0.044 0.000 0.981 139 R CB -0.039 30.246 30.300 -0.024 0.000 0.870 139 R HN 0.139 nan 8.270 nan 0.000 0.451 140 D N -0.008 120.494 120.400 0.170 0.000 2.221 140 D HA -0.165 4.476 4.640 0.002 0.000 0.204 140 D C 1.166 177.415 176.300 -0.085 0.000 0.982 140 D CA 1.174 55.277 54.000 0.171 0.000 0.857 140 D CB -0.126 40.772 40.800 0.162 0.000 0.934 140 D HN 0.182 nan 8.370 nan 0.000 0.475 141 F N 0.512 120.436 119.950 -0.043 0.000 2.661 141 F HA -0.046 4.482 4.527 0.002 0.000 0.298 141 F C 2.407 178.115 175.800 -0.153 0.000 1.137 141 F CA 0.509 58.430 58.000 -0.132 0.000 1.454 141 F CB -0.248 38.685 39.000 -0.112 0.000 1.103 141 F HN -0.081 nan 8.300 nan 0.000 0.577 142 S N -1.157 114.491 115.700 -0.087 0.000 2.515 142 S HA -0.107 4.364 4.470 0.002 0.000 0.231 142 S C 0.380 174.772 174.600 -0.346 0.000 0.987 142 S CA 0.070 58.121 58.200 -0.248 0.000 0.936 142 S CB -0.964 62.019 63.200 -0.362 0.000 0.766 142 S HN 0.274 nan 8.310 nan 0.000 0.528 143 Y N 3.566 123.835 120.300 -0.052 0.000 2.309 143 Y HA 0.396 4.947 4.550 0.002 0.000 0.327 143 Y C 0.982 176.857 175.900 -0.043 0.000 1.172 143 Y CA -1.005 57.081 58.100 -0.023 0.000 1.280 143 Y CB 0.465 38.970 38.460 0.074 0.000 1.234 143 Y HN 0.353 nan 8.280 nan 0.000 0.512 144 N N 0.165 118.936 118.700 0.119 0.000 2.322 144 N HA -0.025 4.716 4.740 0.002 0.000 0.270 144 N C 0.643 176.176 175.510 0.038 0.000 1.286 144 N CA -0.435 52.630 53.050 0.027 0.000 0.948 144 N CB 0.186 38.661 38.487 -0.020 0.000 1.164 144 N HN 0.654 nan 8.380 nan 0.000 0.551 145 Y N -0.443 119.702 120.300 -0.258 0.000 2.049 145 Y HA -0.162 4.389 4.550 0.002 0.000 0.277 145 Y C 1.667 177.490 175.900 -0.129 0.000 1.143 145 Y CA 1.620 59.547 58.100 -0.289 0.000 1.115 145 Y CB -0.488 37.619 38.460 -0.587 0.000 0.975 145 Y HN 0.501 nan 8.280 nan 0.000 0.487 146 F N -0.114 119.891 119.950 0.091 0.000 2.102 146 F HA -0.022 4.506 4.527 0.002 0.000 0.298 146 F C 2.745 178.522 175.800 -0.038 0.000 1.105 146 F CA 1.109 59.103 58.000 -0.009 0.000 1.239 146 F CB -1.573 37.473 39.000 0.077 0.000 0.991 146 F HN 0.108 nan 8.300 nan 0.000 0.474 147 G N -0.473 108.442 108.800 0.191 0.000 2.469 147 G HA2 -0.326 3.635 3.960 0.002 0.000 0.220 147 G HA3 -0.326 3.635 3.960 0.002 0.000 0.220 147 G C 1.689 176.570 174.900 -0.031 0.000 1.136 147 G CA 0.888 46.047 45.100 0.097 0.000 0.759 147 G HN 0.318 nan 8.290 nan 0.000 0.562 148 F N 1.589 121.449 119.950 -0.150 0.000 2.113 148 F HA 0.069 4.597 4.527 0.002 0.000 0.297 148 F C 2.621 178.286 175.800 -0.225 0.000 1.103 148 F CA 1.427 59.279 58.000 -0.247 0.000 1.248 148 F CB -0.020 38.863 39.000 -0.195 0.000 0.999 148 F HN -0.067 nan 8.300 nan 0.000 0.475 149 K N -0.156 120.089 120.400 -0.258 0.000 2.063 149 K HA -0.140 4.181 4.320 0.002 0.000 0.208 149 K C 1.974 178.471 176.600 -0.172 0.000 1.048 149 K CA 1.911 58.042 56.287 -0.260 0.000 0.928 149 K CB -1.163 31.215 32.500 -0.203 0.000 0.713 149 K HN 0.300 nan 8.250 nan 0.000 0.442 150 T N 2.651 117.152 114.554 -0.088 0.000 2.684 150 T HA -0.127 4.224 4.350 0.002 0.000 0.267 150 T C 2.078 176.789 174.700 0.018 0.000 1.036 150 T CA 1.121 63.220 62.100 -0.001 0.000 1.148 150 T CB -0.311 68.573 68.868 0.026 0.000 0.863 150 T HN 0.122 nan 8.240 nan 0.000 0.436 151 L N 0.584 121.703 121.223 -0.173 0.000 2.081 151 L HA -0.159 4.182 4.340 0.002 0.000 0.212 151 L C 2.791 179.568 176.870 -0.154 0.000 1.080 151 L CA 1.519 56.250 54.840 -0.181 0.000 0.754 151 L CB -0.520 41.246 42.059 -0.488 0.000 0.893 151 L HN 0.379 nan 8.230 nan 0.000 0.433 152 E N -0.692 119.313 120.200 -0.325 0.000 2.107 152 E HA -0.191 4.160 4.350 0.002 0.000 0.191 152 E C 2.258 178.779 176.600 -0.132 0.000 0.982 152 E CA 0.441 56.671 56.400 -0.282 0.000 0.809 152 E CB 0.060 29.545 29.700 -0.358 0.000 0.756 152 E HN 0.331 nan 8.360 nan 0.000 0.459 153 R N 0.123 120.572 120.500 -0.086 0.000 2.070 153 R HA -0.082 4.259 4.340 0.002 0.000 0.233 153 R C 1.522 177.784 176.300 -0.064 0.000 1.137 153 R CA 1.884 57.953 56.100 -0.052 0.000 0.945 153 R CB 0.185 30.476 30.300 -0.016 0.000 0.845 153 R HN -0.001 nan 8.270 nan 0.000 0.430 154 S N -2.326 113.363 115.700 -0.017 0.000 2.653 154 S HA 0.131 4.602 4.470 0.002 0.000 0.259 154 S C 0.596 175.075 174.600 -0.201 0.000 1.076 154 S CA -0.396 57.700 58.200 -0.174 0.000 1.051 154 S CB 0.429 63.486 63.200 -0.238 0.000 0.994 154 S HN 0.267 nan 8.310 nan 0.000 0.552 155 Y N 1.455 121.795 120.300 0.068 0.000 2.449 155 Y HA 0.487 5.038 4.550 0.002 0.000 0.254 155 Y C 0.335 176.273 175.900 0.063 0.000 1.140 155 Y CA -0.079 58.117 58.100 0.160 0.000 1.272 155 Y CB 0.314 38.830 38.460 0.092 0.000 1.114 155 Y HN 0.066 nan 8.280 nan 0.000 0.525 156 L N 1.537 122.824 121.223 0.107 0.000 2.294 156 L HA 0.351 4.692 4.340 0.002 0.000 0.283 156 L C -0.610 176.264 176.870 0.007 0.000 1.015 156 L CA -0.553 54.320 54.840 0.056 0.000 0.831 156 L CB 1.274 43.332 42.059 -0.002 0.000 1.217 156 L HN -0.018 nan 8.230 nan 0.000 0.420 157 L N 4.182 125.414 121.223 0.016 0.000 2.525 157 L HA 0.059 4.400 4.340 0.002 0.000 0.278 157 L C 0.201 177.036 176.870 -0.058 0.000 1.218 157 L CA 0.547 55.363 54.840 -0.040 0.000 0.878 157 L CB 0.087 42.129 42.059 -0.030 0.000 1.127 157 L HN 0.561 nan 8.230 nan 0.000 0.492 158 K N 4.299 124.633 120.400 -0.110 0.000 2.259 158 K HA 0.600 4.921 4.320 0.002 0.000 0.249 158 K C -0.876 175.614 176.600 -0.183 0.000 0.942 158 K CA -0.624 55.597 56.287 -0.110 0.000 0.816 158 K CB 2.320 34.760 32.500 -0.100 0.000 1.155 158 K HN 0.415 nan 8.250 nan 0.000 0.428 159 I N 3.625 124.114 120.570 -0.134 0.000 2.337 159 I HA 0.099 4.270 4.170 0.002 0.000 0.285 159 I C -0.563 175.538 176.117 -0.026 0.000 1.041 159 I CA -0.581 60.630 61.300 -0.149 0.000 1.199 159 I CB 0.510 38.500 38.000 -0.017 0.000 1.370 159 I HN 0.684 nan 8.210 nan 0.000 0.470 160 N N 5.376 124.061 118.700 -0.026 0.000 2.671 160 N HA -0.181 4.560 4.740 0.002 0.000 0.261 160 N C 0.958 176.460 175.510 -0.013 0.000 1.053 160 N CA 1.063 54.126 53.050 0.020 0.000 0.732 160 N CB -1.099 37.439 38.487 0.085 0.000 0.887 160 N HN 1.112 nan 8.380 nan 0.000 0.546 161 G N -0.754 108.017 108.800 -0.048 0.000 2.175 161 G HA2 -0.389 3.572 3.960 0.002 0.000 0.265 161 G HA3 -0.389 3.572 3.960 0.002 0.000 0.265 161 G C 0.068 174.951 174.900 -0.029 0.000 0.979 161 G CA 1.138 46.213 45.100 -0.042 0.000 0.663 161 G HN 0.729 nan 8.290 nan 0.000 0.533 162 K N 0.691 121.077 120.400 -0.024 0.000 2.425 162 K HA 0.557 4.879 4.320 0.002 0.000 0.259 162 K C 0.556 177.148 176.600 -0.014 0.000 0.978 162 K CA -0.840 55.442 56.287 -0.008 0.000 0.883 162 K CB 1.346 33.852 32.500 0.011 0.000 1.110 162 K HN 0.016 nan 8.250 nan 0.000 0.436 163 V N 4.176 124.083 119.914 -0.011 0.000 2.584 163 V HA -0.088 4.033 4.120 0.002 0.000 0.303 163 V C 1.144 177.254 176.094 0.026 0.000 1.035 163 V CA 0.947 63.245 62.300 -0.004 0.000 1.172 163 V CB 0.707 32.527 31.823 -0.006 0.000 0.896 163 V HN 1.013 nan 8.190 nan 0.000 0.486 164 A N 4.309 127.145 122.820 0.027 0.000 2.140 164 A HA 0.207 4.528 4.320 0.002 0.000 0.209 164 A C 0.891 178.547 177.584 0.120 0.000 1.181 164 A CA 0.050 52.118 52.037 0.051 0.000 0.824 164 A CB 0.115 19.123 19.000 0.013 0.000 0.879 164 A HN 0.766 nan 8.150 nan 0.000 0.480 165 E N 0.912 121.197 120.200 0.143 0.000 2.174 165 E HA 0.336 4.687 4.350 0.002 0.000 0.282 165 E C -0.627 176.133 176.600 0.266 0.000 0.992 165 E CA -0.535 56.023 56.400 0.264 0.000 0.803 165 E CB 1.076 30.896 29.700 0.200 0.000 1.090 165 E HN 0.350 nan 8.360 nan 0.000 0.396 166 R N 3.431 124.155 120.500 0.374 0.000 2.490 166 R HA 0.136 4.477 4.340 0.002 0.000 0.278 166 R C -1.746 174.629 176.300 0.126 0.000 1.069 166 R CA -1.750 54.456 56.100 0.177 0.000 1.080 166 R CB 0.265 30.554 30.300 -0.018 0.000 1.030 166 R HN 0.273 nan 8.270 nan 0.000 0.491 167 P HA -0.205 nan 4.420 nan 0.000 0.218 167 P C 0.795 178.167 177.300 0.121 0.000 1.146 167 P CA 1.276 64.440 63.100 0.107 0.000 0.813 167 P CB 0.278 32.047 31.700 0.115 0.000 0.778 168 Q N -1.713 118.129 119.800 0.071 0.000 2.172 168 Q HA -0.142 4.199 4.340 0.002 0.000 0.200 168 Q C 2.078 178.053 176.000 -0.042 0.000 0.964 168 Q CA 1.474 57.293 55.803 0.027 0.000 0.855 168 Q CB -1.081 27.550 28.738 -0.178 0.000 0.918 168 Q HN 0.580 nan 8.270 nan 0.000 0.444 169 H N 0.010 119.133 119.070 0.089 0.000 2.357 169 H HA -0.015 4.542 4.556 0.002 0.000 0.301 169 H C 2.137 177.565 175.328 0.167 0.000 1.082 169 H CA 1.092 57.231 56.048 0.151 0.000 1.342 169 H CB 0.060 30.058 29.762 0.393 0.000 1.389 169 H HN 0.089 nan 8.280 nan 0.000 0.511 170 M N 0.968 120.735 119.600 0.278 0.000 2.080 170 M HA -0.167 4.314 4.480 0.002 0.000 0.260 170 M C 1.831 178.225 176.300 0.158 0.000 1.068 170 M CA 1.693 57.119 55.300 0.210 0.000 1.109 170 M CB -0.324 32.377 32.600 0.167 0.000 1.342 170 M HN 0.321 nan 8.290 nan 0.000 0.405 171 L N -0.614 120.691 121.223 0.136 0.000 2.217 171 L HA -0.181 4.160 4.340 0.002 0.000 0.211 171 L C 2.513 179.479 176.870 0.160 0.000 1.107 171 L CA 0.637 55.566 54.840 0.149 0.000 0.783 171 L CB -0.596 41.562 42.059 0.164 0.000 0.919 171 L HN 0.356 nan 8.230 nan 0.000 0.442 172 M N -0.020 119.579 119.600 -0.001 0.000 2.193 172 M HA -0.102 4.379 4.480 0.002 0.000 0.265 172 M C 2.366 178.666 176.300 -0.001 0.000 1.071 172 M CA 1.491 56.658 55.300 -0.222 0.000 1.140 172 M CB -0.275 31.730 32.600 -0.991 0.000 1.369 172 M HN 0.008 nan 8.290 nan 0.000 0.423 173 R N -0.386 120.219 120.500 0.176 0.000 2.097 173 R HA -0.170 4.171 4.340 0.002 0.000 0.236 173 R C 1.726 178.122 176.300 0.160 0.000 1.135 173 R CA 2.492 58.769 56.100 0.294 0.000 0.934 173 R CB -0.961 29.519 30.300 0.300 0.000 0.846 173 R HN 0.323 nan 8.270 nan 0.000 0.431 174 V N 0.937 120.925 119.914 0.124 0.000 2.453 174 V HA -0.262 3.859 4.120 0.002 0.000 0.252 174 V C 2.254 178.379 176.094 0.053 0.000 1.068 174 V CA 2.215 64.554 62.300 0.065 0.000 1.070 174 V CB -0.318 31.537 31.823 0.054 0.000 0.664 174 V HN 0.462 nan 8.190 nan 0.000 0.461 175 S N -0.736 115.035 115.700 0.120 0.000 2.406 175 S HA -0.060 4.411 4.470 0.002 0.000 0.224 175 S C 1.923 176.645 174.600 0.203 0.000 1.030 175 S CA 1.091 59.409 58.200 0.197 0.000 0.958 175 S CB 0.149 63.490 63.200 0.235 0.000 0.811 175 S HN 0.404 nan 8.310 nan 0.000 0.489 176 V N 1.986 121.993 119.914 0.154 0.000 2.488 176 V HA -0.014 4.107 4.120 0.002 0.000 0.246 176 V C 2.646 178.795 176.094 0.091 0.000 1.046 176 V CA 1.641 64.026 62.300 0.143 0.000 1.053 176 V CB -1.450 30.466 31.823 0.156 0.000 0.679 176 V HN 0.568 nan 8.190 nan 0.000 0.458 177 G N 0.013 108.854 108.800 0.068 0.000 2.485 177 G HA2 -0.242 3.719 3.960 0.002 0.000 0.221 177 G HA3 -0.242 3.719 3.960 0.002 0.000 0.221 177 G C 1.497 176.373 174.900 -0.040 0.000 1.115 177 G CA 1.238 46.349 45.100 0.019 0.000 0.751 177 G HN 0.531 nan 8.290 nan 0.000 0.567 178 I N -1.390 119.124 120.570 -0.095 0.000 2.810 178 I HA 0.106 4.277 4.170 0.002 0.000 0.262 178 I C 2.211 178.166 176.117 -0.269 0.000 1.131 178 I CA 0.468 61.618 61.300 -0.251 0.000 1.453 178 I CB 0.036 37.759 38.000 -0.462 0.000 1.161 178 I HN 0.085 nan 8.210 nan 0.000 0.444 179 H N 0.562 119.652 119.070 0.033 0.000 2.639 179 H HA 0.228 4.786 4.556 0.002 0.000 0.267 179 H C 0.990 176.336 175.328 0.031 0.000 0.958 179 H CA 0.177 56.247 56.048 0.036 0.000 1.221 179 H CB 0.541 30.332 29.762 0.049 0.000 1.446 179 H HN 0.114 nan 8.280 nan 0.000 0.512 180 K N 0.090 120.570 120.400 0.133 0.000 2.075 180 K HA -0.287 4.034 4.320 0.002 0.000 0.144 180 K C 1.310 177.959 176.600 0.081 0.000 1.038 180 K CA 1.979 58.316 56.287 0.083 0.000 0.321 180 K CB -0.900 31.631 32.500 0.052 0.000 0.709 180 K HN 0.233 nan 8.250 nan 0.000 0.762 181 E N 1.122 121.358 120.200 0.060 0.000 2.347 181 E HA -0.110 4.241 4.350 0.002 0.000 0.196 181 E C 0.066 176.693 176.600 0.046 0.000 1.008 181 E CA 0.634 57.061 56.400 0.045 0.000 0.852 181 E CB -0.102 29.616 29.700 0.031 0.000 0.783 181 E HN 0.255 nan 8.360 nan 0.000 0.505 182 D N 1.128 121.565 120.400 0.061 0.000 2.455 182 D HA -0.014 4.627 4.640 0.002 0.000 0.234 182 D C 0.953 177.266 176.300 0.021 0.000 1.224 182 D CA -0.063 53.961 54.000 0.039 0.000 0.999 182 D CB 0.158 40.989 40.800 0.051 0.000 1.072 182 D HN -0.033 nan 8.370 nan 0.000 0.514 183 I N 1.793 122.371 120.570 0.014 0.000 2.406 183 I HA -0.145 4.026 4.170 0.002 0.000 0.249 183 I C 1.627 177.731 176.117 -0.021 0.000 1.122 183 I CA 0.447 61.753 61.300 0.010 0.000 1.431 183 I CB -0.680 37.331 38.000 0.018 0.000 1.087 183 I HN 0.270 nan 8.210 nan 0.000 0.424 184 D N 1.882 122.264 120.400 -0.029 0.000 2.133 184 D HA -0.201 4.440 4.640 0.002 0.000 0.192 184 D C 2.271 178.516 176.300 -0.091 0.000 1.001 184 D CA 1.996 55.970 54.000 -0.044 0.000 0.844 184 D CB -0.043 40.734 40.800 -0.038 0.000 0.944 184 D HN 0.349 nan 8.370 nan 0.000 0.447 185 A N 0.834 123.560 122.820 -0.156 0.000 1.933 185 A HA -0.008 4.313 4.320 0.002 0.000 0.218 185 A C 2.308 179.601 177.584 -0.484 0.000 1.175 185 A CA 2.203 54.018 52.037 -0.371 0.000 0.628 185 A CB -0.554 18.159 19.000 -0.478 0.000 0.814 185 A HN 0.258 nan 8.150 nan 0.000 0.444 186 A N -0.416 122.267 122.820 -0.228 0.000 1.929 186 A HA 0.046 4.367 4.320 0.002 0.000 0.216 186 A C 2.087 179.709 177.584 0.064 0.000 1.176 186 A CA 1.362 53.397 52.037 -0.005 0.000 0.628 186 A CB -0.457 18.596 19.000 0.089 0.000 0.816 186 A HN 0.467 nan 8.150 nan 0.000 0.444 187 I N -0.830 119.758 120.570 0.030 0.000 2.333 187 I HA -0.180 3.991 4.170 0.002 0.000 0.246 187 I C 2.476 178.648 176.117 0.092 0.000 1.106 187 I CA 1.322 62.677 61.300 0.092 0.000 1.411 187 I CB -0.219 37.810 38.000 0.049 0.000 1.082 187 I HN 0.490 nan 8.210 nan 0.000 0.420 188 E N 0.637 120.841 120.200 0.008 0.000 2.086 188 E HA -0.276 4.075 4.350 0.002 0.000 0.200 188 E C 2.006 178.638 176.600 0.053 0.000 1.012 188 E CA 2.225 58.622 56.400 -0.005 0.000 0.812 188 E CB 0.022 29.689 29.700 -0.056 0.000 0.743 188 E HN 0.392 nan 8.360 nan 0.000 0.453 189 T N -0.122 114.489 114.554 0.096 0.000 2.821 189 T HA -0.160 4.191 4.350 0.002 0.000 0.267 189 T C 1.393 176.207 174.700 0.190 0.000 1.046 189 T CA 1.215 63.461 62.100 0.244 0.000 1.139 189 T CB -0.451 68.662 68.868 0.408 0.000 0.871 189 T HN 0.357 nan 8.240 nan 0.000 0.454 190 Y N 3.096 123.436 120.300 0.066 0.000 2.114 190 Y HA -0.187 4.364 4.550 0.002 0.000 0.284 190 Y C 2.182 178.084 175.900 0.004 0.000 1.143 190 Y CA 1.306 59.411 58.100 0.009 0.000 1.135 190 Y CB -0.650 37.783 38.460 -0.044 0.000 0.980 190 Y HN 0.094 nan 8.280 nan 0.000 0.499 191 N N 0.693 119.233 118.700 -0.267 0.000 2.069 191 N HA -0.215 4.526 4.740 0.002 0.000 0.191 191 N C 2.006 177.417 175.510 -0.166 0.000 1.031 191 N CA 1.911 54.775 53.050 -0.310 0.000 0.852 191 N CB -0.722 37.719 38.487 -0.076 0.000 1.018 191 N HN 0.430 nan 8.380 nan 0.000 0.423 192 L N 0.730 121.940 121.223 -0.022 0.000 2.042 192 L HA -0.133 4.208 4.340 0.002 0.000 0.210 192 L C 2.325 179.229 176.870 0.056 0.000 1.076 192 L CA 0.843 55.768 54.840 0.141 0.000 0.749 192 L CB -0.332 41.918 42.059 0.318 0.000 0.893 192 L HN 0.127 nan 8.230 nan 0.000 0.432 193 L N -1.030 120.083 121.223 -0.185 0.000 2.044 193 L HA -0.165 4.176 4.340 0.002 0.000 0.205 193 L C 2.797 179.515 176.870 -0.254 0.000 1.075 193 L CA 1.468 56.110 54.840 -0.331 0.000 0.747 193 L CB -0.495 41.396 42.059 -0.280 0.000 0.903 193 L HN 0.341 nan 8.230 nan 0.000 0.435 194 S N -0.764 114.712 115.700 -0.373 0.000 2.402 194 S HA -0.181 4.290 4.470 0.002 0.000 0.229 194 S C 1.633 176.083 174.600 -0.251 0.000 1.021 194 S CA 0.998 58.988 58.200 -0.349 0.000 0.974 194 S CB -0.370 62.431 63.200 -0.664 0.000 0.800 194 S HN 0.454 nan 8.310 nan 0.000 0.484 195 E N 0.798 120.889 120.200 -0.181 0.000 2.481 195 E HA 0.180 4.531 4.350 0.002 0.000 0.195 195 E C -0.101 176.318 176.600 -0.302 0.000 1.047 195 E CA -0.166 56.142 56.400 -0.153 0.000 0.867 195 E CB -0.017 29.738 29.700 0.092 0.000 0.858 195 E HN 0.394 nan 8.360 nan 0.000 0.513 196 R N -2.318 118.060 120.500 -0.203 0.000 3.515 196 R HA -0.180 4.161 4.340 0.002 0.000 0.292 196 R C -0.141 176.029 176.300 -0.217 0.000 1.148 196 R CA 0.415 56.380 56.100 -0.225 0.000 0.786 196 R CB -2.282 27.853 30.300 -0.275 0.000 1.327 196 R HN 0.300 nan 8.270 nan 0.000 0.454 197 W N 0.305 121.558 121.300 -0.078 0.000 2.476 197 W HA 0.131 4.792 4.660 0.002 0.000 0.281 197 W C 1.001 177.686 176.519 0.276 0.000 1.230 197 W CA 0.997 58.363 57.345 0.034 0.000 1.287 197 W CB 0.234 29.739 29.460 0.074 0.000 1.108 197 W HN 0.282 nan 8.180 nan 0.000 0.567 198 F N -2.997 117.075 119.950 0.203 0.000 2.779 198 F HA 0.736 5.264 4.527 0.002 0.000 0.316 198 F C -0.831 174.989 175.800 0.033 0.000 1.164 198 F CA -1.690 56.372 58.000 0.103 0.000 0.924 198 F CB 1.171 40.215 39.000 0.074 0.000 1.348 198 F HN -0.453 nan 8.300 nan 0.000 0.467 199 T N 0.061 114.563 114.554 -0.086 0.000 2.909 199 T HA 0.402 4.753 4.350 0.002 0.000 0.299 199 T C -1.312 173.352 174.700 -0.060 0.000 1.073 199 T CA -0.393 61.562 62.100 -0.241 0.000 0.999 199 T CB 0.828 69.639 68.868 -0.095 0.000 1.098 199 T HN 0.747 nan 8.240 nan 0.000 0.477 200 H N 0.990 120.063 119.070 0.005 0.000 2.603 200 H HA 0.540 5.097 4.556 0.002 0.000 0.370 200 H C 0.665 176.005 175.328 0.021 0.000 1.225 200 H CA -0.072 56.029 56.048 0.089 0.000 1.410 200 H CB 1.048 30.853 29.762 0.072 0.000 1.495 200 H HN 0.810 nan 8.280 nan 0.000 0.602 201 A N 1.193 124.117 122.820 0.173 0.000 2.407 201 A HA 0.094 4.415 4.320 0.002 0.000 0.248 201 A C 1.486 179.053 177.584 -0.029 0.000 1.082 201 A CA 0.007 52.079 52.037 0.059 0.000 0.785 201 A CB 0.246 19.277 19.000 0.051 0.000 1.020 201 A HN 0.817 nan 8.150 nan 0.000 0.489 202 S N 2.578 118.217 115.700 -0.102 0.000 2.393 202 S HA -0.177 4.294 4.470 0.002 0.000 0.235 202 S C -0.551 173.640 174.600 -0.683 0.000 1.061 202 S CA 2.446 60.419 58.200 -0.378 0.000 1.129 202 S CB -1.386 61.612 63.200 -0.337 0.000 1.011 202 S HN 0.747 nan 8.310 nan 0.000 0.436 203 P HA -0.123 nan 4.420 nan 0.000 0.217 203 P C 1.512 178.771 177.300 -0.069 0.000 1.158 203 P CA 1.612 64.648 63.100 -0.106 0.000 0.887 203 P CB -0.282 31.423 31.700 0.008 0.000 0.792 204 T N -0.806 113.707 114.554 -0.069 0.000 2.821 204 T HA -0.061 4.290 4.350 0.002 0.000 0.267 204 T C 1.687 176.364 174.700 -0.039 0.000 1.046 204 T CA 0.986 63.053 62.100 -0.054 0.000 1.139 204 T CB -0.794 68.038 68.868 -0.060 0.000 0.871 204 T HN 0.076 nan 8.240 nan 0.000 0.454 205 L N -0.388 120.805 121.223 -0.049 0.000 2.141 205 L HA 0.034 4.375 4.340 0.002 0.000 0.209 205 L C 2.201 179.153 176.870 0.135 0.000 1.094 205 L CA 1.287 56.148 54.840 0.034 0.000 0.763 205 L CB -0.594 41.515 42.059 0.083 0.000 0.908 205 L HN 0.307 nan 8.230 nan 0.000 0.437 206 F N 0.150 120.130 119.950 0.050 0.000 2.149 206 F HA -0.089 4.439 4.527 0.002 0.000 0.294 206 F C 1.977 177.771 175.800 -0.011 0.000 1.095 206 F CA 0.524 58.513 58.000 -0.020 0.000 1.276 206 F CB 0.026 38.982 39.000 -0.073 0.000 1.023 206 F HN 0.175 nan 8.300 nan 0.000 0.480 207 N N 0.007 118.821 118.700 0.190 0.000 2.184 207 N HA 0.177 4.918 4.740 0.002 0.000 0.206 207 N C 0.114 175.655 175.510 0.052 0.000 1.151 207 N CA 0.140 53.251 53.050 0.102 0.000 0.878 207 N CB 0.267 38.807 38.487 0.087 0.000 1.014 207 N HN -0.049 nan 8.380 nan 0.000 0.512 208 A N 0.387 123.230 122.820 0.039 0.000 2.511 208 A HA 0.475 4.796 4.320 0.002 0.000 0.242 208 A C 1.390 178.997 177.584 0.038 0.000 1.069 208 A CA 0.757 52.799 52.037 0.008 0.000 0.763 208 A CB -0.350 18.634 19.000 -0.028 0.000 1.001 208 A HN 0.417 nan 8.150 nan 0.000 0.498 209 G N 1.608 110.425 108.800 0.028 0.000 2.143 209 G HA2 -0.104 3.857 3.960 0.002 0.000 0.248 209 G HA3 -0.104 3.857 3.960 0.002 0.000 0.248 209 G C 0.431 175.357 174.900 0.044 0.000 0.991 209 G CA 1.277 46.404 45.100 0.044 0.000 0.689 209 G HN 2.249 nan 8.290 nan 0.000 0.522 210 T N -4.185 110.389 114.554 0.034 0.000 2.773 210 T HA 0.639 4.990 4.350 0.002 0.000 0.278 210 T C 1.130 175.846 174.700 0.026 0.000 1.011 210 T CA 0.153 62.274 62.100 0.034 0.000 1.014 210 T CB 1.297 70.182 68.868 0.028 0.000 1.293 210 T HN -0.111 nan 8.240 nan 0.000 0.554 211 N N 0.069 118.783 118.700 0.023 0.000 2.080 211 N HA 0.029 4.770 4.740 0.002 0.000 0.189 211 N C 0.748 176.262 175.510 0.008 0.000 1.036 211 N CA 0.957 54.017 53.050 0.017 0.000 0.846 211 N CB -0.388 38.103 38.487 0.007 0.000 1.015 211 N HN 0.511 nan 8.380 nan 0.000 0.423 212 R N 1.133 121.634 120.500 0.002 0.000 2.666 212 R HA 0.245 4.586 4.340 0.002 0.000 0.275 212 R C -2.438 173.864 176.300 0.003 0.000 1.266 212 R CA -1.363 54.736 56.100 -0.000 0.000 1.401 212 R CB 0.895 31.192 30.300 -0.005 0.000 1.145 212 R HN 0.074 nan 8.270 nan 0.000 0.581 213 P HA 0.073 nan 4.420 nan 0.000 0.226 213 P C -1.077 176.206 177.300 -0.027 0.000 1.832 213 P CA -0.404 62.691 63.100 -0.008 0.000 1.092 213 P CB 0.977 32.666 31.700 -0.019 0.000 1.873 214 Q N 2.810 122.611 119.800 0.001 0.000 2.423 214 Q HA 0.200 4.542 4.340 0.002 0.000 0.235 214 Q C 0.550 176.564 176.000 0.022 0.000 1.100 214 Q CA -0.084 55.723 55.803 0.007 0.000 0.908 214 Q CB 0.526 29.298 28.738 0.057 0.000 1.312 214 Q HN 0.456 nan 8.270 nan 0.000 0.497 215 L N 0.979 122.182 121.223 -0.033 0.000 2.477 215 L HA 0.111 4.452 4.340 0.002 0.000 0.220 215 L C 0.694 177.549 176.870 -0.024 0.000 1.106 215 L CA 0.090 54.910 54.840 -0.033 0.000 0.851 215 L CB 0.139 42.154 42.059 -0.073 0.000 0.994 215 L HN 0.286 nan 8.230 nan 0.000 0.462 216 S N -0.824 114.855 115.700 -0.034 0.000 2.632 216 S HA 0.309 4.780 4.470 0.002 0.000 0.271 216 S C 0.932 175.515 174.600 -0.029 0.000 1.260 216 S CA -0.663 57.488 58.200 -0.082 0.000 1.010 216 S CB 2.016 65.084 63.200 -0.219 0.000 0.965 216 S HN 0.065 nan 8.310 nan 0.000 0.534 217 S N -0.403 115.253 115.700 -0.072 0.000 2.527 217 S HA 0.133 4.604 4.470 0.002 0.000 0.225 217 S C 0.501 175.104 174.600 0.006 0.000 1.046 217 S CA -0.086 58.122 58.200 0.013 0.000 0.929 217 S CB -0.036 63.172 63.200 0.013 0.000 0.851 217 S HN 0.743 nan 8.310 nan 0.000 0.565 218 C N 2.723 121.942 119.300 -0.135 0.000 2.388 218 C HA 0.725 5.186 4.460 0.002 0.000 0.362 218 C C -0.521 174.245 174.990 -0.373 0.000 1.266 218 C CA -0.722 58.230 59.018 -0.110 0.000 2.028 218 C CB -1.025 26.658 27.740 -0.096 0.000 2.440 218 C HN 0.379 nan 8.230 nan 0.000 0.547 219 F N 2.461 122.422 119.950 0.020 0.000 2.551 219 F HA 0.732 5.260 4.527 0.002 0.000 0.316 219 F C -0.310 175.465 175.800 -0.041 0.000 1.089 219 F CA -0.814 57.187 58.000 0.001 0.000 0.915 219 F CB 1.135 40.138 39.000 0.006 0.000 1.186 219 F HN 0.174 nan 8.300 nan 0.000 0.456 220 L N 3.733 125.010 121.223 0.090 0.000 2.362 220 L HA 0.767 5.108 4.340 0.002 0.000 0.271 220 L C -1.230 175.603 176.870 -0.061 0.000 1.002 220 L CA -0.544 54.270 54.840 -0.044 0.000 0.818 220 L CB 1.790 43.762 42.059 -0.145 0.000 1.298 220 L HN 0.343 nan 8.230 nan 0.000 0.420 221 L N 0.906 122.053 121.223 -0.126 0.000 2.422 221 L HA 0.758 5.099 4.340 0.002 0.000 0.264 221 L C -0.368 176.392 176.870 -0.183 0.000 0.984 221 L CA -0.433 54.330 54.840 -0.129 0.000 0.819 221 L CB 2.342 44.340 42.059 -0.102 0.000 1.330 221 L HN 0.555 nan 8.230 nan 0.000 0.410 222 S N 1.121 116.718 115.700 -0.171 0.000 2.475 222 S HA 0.692 5.163 4.470 0.002 0.000 0.298 222 S C -0.141 174.393 174.600 -0.110 0.000 1.119 222 S CA -0.774 57.325 58.200 -0.167 0.000 1.085 222 S CB 1.412 64.504 63.200 -0.178 0.000 1.028 222 S HN 0.588 nan 8.310 nan 0.000 0.489 223 M N 2.856 122.395 119.600 -0.102 0.000 2.255 223 M HA 0.026 4.507 4.480 0.002 0.000 0.356 223 M C 1.039 177.323 176.300 -0.027 0.000 1.338 223 M CA 0.510 55.774 55.300 -0.061 0.000 0.962 223 M CB 0.045 32.608 32.600 -0.062 0.000 1.877 223 M HN 0.778 nan 8.290 nan 0.000 0.463 224 K N 1.459 121.855 120.400 -0.006 0.000 2.148 224 K HA -0.059 4.262 4.320 0.002 0.000 0.204 224 K C 0.007 176.620 176.600 0.022 0.000 1.050 224 K CA 1.241 57.532 56.287 0.006 0.000 0.942 224 K CB -0.000 32.510 32.500 0.017 0.000 0.724 224 K HN 0.759 nan 8.250 nan 0.000 0.446 225 D N -1.224 119.195 120.400 0.033 0.000 2.728 225 D HA -0.009 4.632 4.640 0.002 0.000 0.249 225 D C -1.990 174.342 176.300 0.053 0.000 1.225 225 D CA -0.677 53.349 54.000 0.044 0.000 0.748 225 D CB 1.274 42.102 40.800 0.046 0.000 1.326 225 D HN -0.151 nan 8.370 nan 0.000 0.426 226 D N 1.181 121.617 120.400 0.059 0.000 2.688 226 D HA 0.336 4.977 4.640 0.002 0.000 0.228 226 D C -1.097 175.240 176.300 0.063 0.000 1.116 226 D CA 0.189 54.229 54.000 0.067 0.000 1.023 226 D CB -0.501 40.344 40.800 0.075 0.000 1.100 226 D HN 0.374 nan 8.370 nan 0.000 0.487 227 S N 1.083 116.824 115.700 0.070 0.000 2.547 227 S HA 0.280 4.751 4.470 0.002 0.000 0.270 227 S C 0.882 175.545 174.600 0.104 0.000 1.150 227 S CA -0.877 57.365 58.200 0.070 0.000 0.850 227 S CB 0.768 64.002 63.200 0.056 0.000 1.118 227 S HN -0.042 nan 8.310 nan 0.000 0.461 228 I N 1.364 121.998 120.570 0.108 0.000 2.286 228 I HA -0.099 4.072 4.170 0.002 0.000 0.248 228 I C 2.551 178.785 176.117 0.195 0.000 1.115 228 I CA 1.802 63.208 61.300 0.176 0.000 1.392 228 I CB -1.250 36.802 38.000 0.087 0.000 1.065 228 I HN 0.964 nan 8.210 nan 0.000 0.418 229 E N 1.032 121.297 120.200 0.109 0.000 2.033 229 E HA -0.199 4.152 4.350 0.002 0.000 0.199 229 E C 2.274 178.946 176.600 0.121 0.000 1.011 229 E CA 1.959 58.418 56.400 0.097 0.000 0.815 229 E CB -0.482 29.252 29.700 0.057 0.000 0.755 229 E HN 0.444 nan 8.360 nan 0.000 0.451 230 G N -0.097 108.763 108.800 0.100 0.000 2.448 230 G HA2 -0.157 3.804 3.960 0.002 0.000 0.218 230 G HA3 -0.157 3.804 3.960 0.002 0.000 0.218 230 G C 1.556 176.513 174.900 0.095 0.000 1.135 230 G CA 0.617 45.767 45.100 0.083 0.000 0.784 230 G HN 0.249 nan 8.290 nan 0.000 0.543 231 I N -0.895 119.752 120.570 0.130 0.000 2.252 231 I HA -0.121 4.050 4.170 0.002 0.000 0.245 231 I C 2.251 178.370 176.117 0.003 0.000 1.102 231 I CA 0.938 62.299 61.300 0.101 0.000 1.385 231 I CB -0.109 37.967 38.000 0.125 0.000 1.064 231 I HN 0.116 nan 8.210 nan 0.000 0.414 232 Y N 0.325 120.662 120.300 0.061 0.000 2.420 232 Y HA -0.132 4.419 4.550 0.002 0.000 0.292 232 Y C 2.142 178.045 175.900 0.005 0.000 1.119 232 Y CA 0.878 58.988 58.100 0.018 0.000 1.229 232 Y CB -0.174 38.290 38.460 0.007 0.000 1.026 232 Y HN 0.111 nan 8.280 nan 0.000 0.554 233 D N -1.038 119.433 120.400 0.117 0.000 2.178 233 D HA -0.120 4.521 4.640 0.002 0.000 0.202 233 D C 1.998 178.310 176.300 0.021 0.000 0.974 233 D CA 1.566 55.602 54.000 0.060 0.000 0.841 233 D CB -0.169 40.664 40.800 0.055 0.000 0.953 233 D HN 0.209 nan 8.370 nan 0.000 0.478 234 T N 0.606 115.177 114.554 0.027 0.000 2.896 234 T HA -0.065 4.286 4.350 0.002 0.000 0.263 234 T C 1.838 176.534 174.700 -0.006 0.000 1.050 234 T CA 0.182 62.296 62.100 0.024 0.000 1.140 234 T CB -0.143 68.763 68.868 0.062 0.000 0.877 234 T HN 0.025 nan 8.240 nan 0.000 0.457 235 L N 1.745 122.915 121.223 -0.088 0.000 2.012 235 L HA -0.022 4.319 4.340 0.002 0.000 0.210 235 L C 2.357 179.106 176.870 -0.203 0.000 1.073 235 L CA 1.856 56.477 54.840 -0.366 0.000 0.748 235 L CB -0.501 41.198 42.059 -0.599 0.000 0.891 235 L HN 0.087 nan 8.230 nan 0.000 0.431 236 K N -1.146 119.196 120.400 -0.097 0.000 2.063 236 K HA -0.238 4.083 4.320 0.002 0.000 0.208 236 K C 2.116 178.680 176.600 -0.060 0.000 1.048 236 K CA 1.824 58.084 56.287 -0.044 0.000 0.928 236 K CB -0.109 32.389 32.500 -0.002 0.000 0.713 236 K HN 0.508 nan 8.250 nan 0.000 0.442 237 Q N -0.082 119.675 119.800 -0.072 0.000 2.020 237 Q HA -0.185 4.156 4.340 0.002 0.000 0.202 237 Q C 2.410 178.321 176.000 -0.148 0.000 0.982 237 Q CA 1.797 57.544 55.803 -0.093 0.000 0.838 237 Q CB -0.188 28.503 28.738 -0.080 0.000 0.899 237 Q HN 0.446 nan 8.270 nan 0.000 0.423 238 C N 0.390 119.578 119.300 -0.188 0.000 2.376 238 C HA -0.264 4.198 4.460 0.002 0.000 0.275 238 C C 2.886 177.803 174.990 -0.121 0.000 1.200 238 C CA 0.941 59.778 59.018 -0.301 0.000 1.756 238 C CB -1.387 26.031 27.740 -0.537 0.000 2.050 238 C HN 0.673 nan 8.230 nan 0.000 0.460 239 A N 0.192 122.988 122.820 -0.040 0.000 1.884 239 A HA -0.207 4.114 4.320 0.002 0.000 0.219 239 A C 2.120 179.697 177.584 -0.012 0.000 1.197 239 A CA 2.040 54.096 52.037 0.032 0.000 0.637 239 A CB -0.748 18.269 19.000 0.029 0.000 0.827 239 A HN 0.644 nan 8.150 nan 0.000 0.450 240 L N -1.098 120.092 121.223 -0.055 0.000 2.056 240 L HA -0.141 4.200 4.340 0.002 0.000 0.207 240 L C 2.525 179.324 176.870 -0.119 0.000 1.078 240 L CA 1.149 55.947 54.840 -0.070 0.000 0.749 240 L CB -0.407 41.610 42.059 -0.070 0.000 0.901 240 L HN 0.384 nan 8.230 nan 0.000 0.433 241 I N -1.096 119.356 120.570 -0.197 0.000 2.202 241 I HA -0.299 3.872 4.170 0.002 0.000 0.242 241 I C 2.841 178.847 176.117 -0.185 0.000 1.091 241 I CA 1.396 62.479 61.300 -0.362 0.000 1.368 241 I CB -0.224 37.441 38.000 -0.558 0.000 1.058 241 I HN 0.197 nan 8.210 nan 0.000 0.410 242 S N 0.875 116.551 115.700 -0.041 0.000 2.370 242 S HA -0.299 4.172 4.470 0.002 0.000 0.226 242 S C 2.185 176.796 174.600 0.018 0.000 1.033 242 S CA 1.978 60.223 58.200 0.074 0.000 1.011 242 S CB -0.322 63.016 63.200 0.230 0.000 0.852 242 S HN 0.381 nan 8.310 nan 0.000 0.457 243 K N 0.756 121.144 120.400 -0.019 0.000 2.160 243 K HA -0.092 4.229 4.320 0.002 0.000 0.206 243 K C 1.535 178.118 176.600 -0.028 0.000 1.047 243 K CA 1.796 58.059 56.287 -0.040 0.000 0.930 243 K CB -0.380 32.089 32.500 -0.051 0.000 0.720 243 K HN 0.531 nan 8.250 nan 0.000 0.450 244 S N -0.794 114.890 115.700 -0.027 0.000 2.622 244 S HA 0.416 4.887 4.470 0.002 0.000 0.236 244 S C 0.471 175.104 174.600 0.055 0.000 0.956 244 S CA 0.035 58.235 58.200 -0.000 0.000 0.971 244 S CB 0.509 63.700 63.200 -0.015 0.000 0.782 244 S HN 0.499 nan 8.310 nan 0.000 0.468 245 A N -0.640 122.216 122.820 0.060 0.000 2.969 245 A HA 0.011 4.332 4.320 0.002 0.000 0.252 245 A C 0.746 178.436 177.584 0.177 0.000 1.377 245 A CA 0.427 52.531 52.037 0.112 0.000 0.859 245 A CB -2.174 16.905 19.000 0.132 0.000 1.077 245 A HN 1.408 nan 8.150 nan 0.000 0.671 246 G N -0.589 108.322 108.800 0.185 0.000 2.377 246 G HA2 0.673 4.634 3.960 0.002 0.000 0.299 246 G HA3 0.673 4.634 3.960 0.002 0.000 0.299 246 G C 0.386 175.454 174.900 0.280 0.000 1.150 246 G CA 0.318 45.630 45.100 0.353 0.000 0.847 246 G HN 1.490 nan 8.290 nan 0.000 0.501 247 G N -0.342 108.644 108.800 0.310 0.000 2.451 247 G HA2 0.580 4.541 3.960 0.002 0.000 0.303 247 G HA3 0.580 4.541 3.960 0.002 0.000 0.303 247 G C -0.632 174.435 174.900 0.277 0.000 1.166 247 G CA -0.625 44.630 45.100 0.258 0.000 0.884 247 G HN 0.619 nan 8.290 nan 0.000 0.514 248 I N 0.299 121.017 120.570 0.246 0.000 2.582 248 I HA 0.473 4.644 4.170 0.002 0.000 0.292 248 I C 0.365 176.576 176.117 0.156 0.000 1.066 248 I CA -0.851 60.545 61.300 0.160 0.000 1.053 248 I CB 2.584 40.581 38.000 -0.006 0.000 1.241 248 I HN 0.614 nan 8.210 nan 0.000 0.421 249 G N 5.019 113.874 108.800 0.092 0.000 2.415 249 G HA2 0.656 4.617 3.960 0.002 0.000 0.327 249 G HA3 0.656 4.617 3.960 0.002 0.000 0.327 249 G C -1.174 173.694 174.900 -0.053 0.000 1.182 249 G CA -0.361 44.800 45.100 0.100 0.000 0.924 249 G HN 0.315 nan 8.290 nan 0.000 0.470 250 V N 1.269 121.180 119.914 -0.005 0.000 2.531 250 V HA 0.682 4.803 4.120 0.002 0.000 0.301 250 V C 0.358 176.376 176.094 -0.126 0.000 1.034 250 V CA -1.048 61.181 62.300 -0.118 0.000 0.865 250 V CB 1.431 33.160 31.823 -0.155 0.000 0.995 250 V HN 1.090 nan 8.190 nan 0.000 0.424 251 A N 3.666 126.350 122.820 -0.228 0.000 2.320 251 A HA 0.631 4.952 4.320 0.002 0.000 0.287 251 A C 0.568 178.041 177.584 -0.184 0.000 1.181 251 A CA 0.083 51.980 52.037 -0.233 0.000 0.831 251 A CB 1.012 19.823 19.000 -0.315 0.000 1.102 251 A HN 1.714 nan 8.150 nan 0.000 0.513 252 V N 0.509 120.308 119.914 -0.191 0.000 3.346 252 V HA 0.116 4.237 4.120 0.002 0.000 0.309 252 V C 1.145 177.126 176.094 -0.188 0.000 1.457 252 V CA 1.006 63.188 62.300 -0.197 0.000 1.069 252 V CB -0.315 31.367 31.823 -0.235 0.000 0.944 252 V HN 0.599 nan 8.190 nan 0.000 0.449 253 S N 1.478 117.082 115.700 -0.160 0.000 2.419 253 S HA -0.197 4.274 4.470 0.002 0.000 0.233 253 S C 1.940 176.668 174.600 0.212 0.000 1.016 253 S CA 1.766 59.928 58.200 -0.065 0.000 0.974 253 S CB -0.628 62.531 63.200 -0.069 0.000 0.786 253 S HN 1.045 nan 8.310 nan 0.000 0.492 254 C N 0.911 120.307 119.300 0.159 0.000 2.472 254 C HA 0.268 4.729 4.460 0.002 0.000 0.278 254 C C 0.858 175.955 174.990 0.178 0.000 1.447 254 C CA -1.159 57.978 59.018 0.198 0.000 1.773 254 C CB -1.600 26.218 27.740 0.131 0.000 1.793 254 C HN 0.216 nan 8.230 nan 0.000 0.544 255 I N 3.249 123.910 120.570 0.151 0.000 2.533 255 I HA 0.151 4.322 4.170 0.002 0.000 0.284 255 I C 1.172 177.437 176.117 0.247 0.000 1.109 255 I CA 0.024 61.412 61.300 0.146 0.000 1.412 255 I CB -0.073 37.969 38.000 0.072 0.000 1.396 255 I HN 0.562 nan 8.210 nan 0.000 0.543 256 R N 5.777 126.375 120.500 0.163 0.000 2.679 256 R HA 0.608 4.949 4.340 0.002 0.000 0.269 256 R C -0.316 176.073 176.300 0.147 0.000 1.076 256 R CA -0.544 55.635 56.100 0.132 0.000 1.160 256 R CB 0.504 30.853 30.300 0.080 0.000 1.054 256 R HN 0.594 nan 8.270 nan 0.000 0.507 257 A N 1.711 124.579 122.820 0.081 0.000 2.256 257 A HA 0.353 4.674 4.320 0.002 0.000 0.318 257 A C -0.275 177.368 177.584 0.098 0.000 1.103 257 A CA -0.756 51.347 52.037 0.110 0.000 0.860 257 A CB 0.743 19.732 19.000 -0.019 0.000 1.182 257 A HN 0.813 nan 8.150 nan 0.000 0.501 258 T N 0.701 115.324 114.554 0.115 0.000 2.905 258 T HA 0.377 4.728 4.350 0.002 0.000 0.299 258 T C 1.435 176.179 174.700 0.073 0.000 1.024 258 T CA 1.715 63.870 62.100 0.092 0.000 1.151 258 T CB 0.190 69.115 68.868 0.096 0.000 0.987 258 T HN 2.079 nan 8.240 nan 0.000 0.535 259 G N 2.894 111.733 108.800 0.066 0.000 2.195 259 G HA2 -0.266 3.695 3.960 0.002 0.000 0.246 259 G HA3 -0.266 3.695 3.960 0.002 0.000 0.246 259 G C 0.358 175.302 174.900 0.074 0.000 0.984 259 G CA 0.033 45.171 45.100 0.063 0.000 0.633 259 G HN 0.814 nan 8.290 nan 0.000 0.525 260 S N -0.180 115.563 115.700 0.073 0.000 2.584 260 S HA 0.527 4.998 4.470 0.002 0.000 0.273 260 S C -0.058 174.611 174.600 0.114 0.000 1.311 260 S CA -0.533 57.719 58.200 0.087 0.000 1.034 260 S CB 1.264 64.502 63.200 0.064 0.000 0.939 260 S HN 0.439 nan 8.310 nan 0.000 0.513 261 Y N 1.964 122.269 120.300 0.008 0.000 2.511 261 Y HA 0.267 4.818 4.550 0.002 0.000 0.332 261 Y C -0.253 175.655 175.900 0.015 0.000 1.177 261 Y CA 0.115 58.221 58.100 0.009 0.000 1.422 261 Y CB 0.225 38.685 38.460 0.001 0.000 1.271 261 Y HN 0.464 nan 8.280 nan 0.000 0.550 262 I N 6.898 127.056 120.570 -0.687 0.000 2.437 262 I HA 0.285 4.456 4.170 0.002 0.000 0.279 262 I C 0.687 176.291 176.117 -0.855 0.000 1.028 262 I CA -0.289 60.697 61.300 -0.523 0.000 1.142 262 I CB 1.453 39.295 38.000 -0.264 0.000 1.266 262 I HN 0.834 nan 8.210 nan 0.000 0.461 263 A N 4.705 127.172 122.820 -0.587 0.000 1.902 263 A HA -0.074 4.247 4.320 0.002 0.000 0.217 263 A C 2.191 179.686 177.584 -0.149 0.000 1.181 263 A CA 1.959 53.826 52.037 -0.283 0.000 0.623 263 A CB -0.764 18.270 19.000 0.057 0.000 0.818 263 A HN 0.815 nan 8.150 nan 0.000 0.443 264 G N -1.163 107.564 108.800 -0.121 0.000 2.534 264 G HA2 -0.008 3.953 3.960 0.002 0.000 0.217 264 G HA3 -0.008 3.953 3.960 0.002 0.000 0.217 264 G C 1.364 176.225 174.900 -0.064 0.000 1.128 264 G CA 1.760 46.823 45.100 -0.062 0.000 0.784 264 G HN 0.759 nan 8.290 nan 0.000 0.542 265 T N -2.757 111.735 114.554 -0.104 0.000 3.044 265 T HA 0.159 4.510 4.350 0.002 0.000 0.260 265 T C 0.919 175.576 174.700 -0.072 0.000 1.019 265 T CA 0.347 62.403 62.100 -0.075 0.000 0.921 265 T CB -0.306 68.518 68.868 -0.074 0.000 1.053 265 T HN 0.310 nan 8.240 nan 0.000 0.533 266 N N 1.124 119.757 118.700 -0.112 0.000 2.686 266 N HA -0.153 4.588 4.740 0.002 0.000 0.261 266 N C 0.261 175.763 175.510 -0.013 0.000 1.001 266 N CA 0.726 53.755 53.050 -0.035 0.000 0.764 266 N CB -1.200 37.350 38.487 0.105 0.000 0.898 266 N HN 0.808 nan 8.380 nan 0.000 0.544 267 G N 0.488 109.200 108.800 -0.146 0.000 3.058 267 G HA2 0.588 4.549 3.960 0.002 0.000 0.282 267 G HA3 0.588 4.549 3.960 0.002 0.000 0.282 267 G C -1.408 173.453 174.900 -0.065 0.000 1.248 267 G CA -0.589 44.489 45.100 -0.037 0.000 0.822 267 G HN 0.388 nan 8.290 nan 0.000 0.579 268 N N -0.572 118.126 118.700 -0.004 0.000 2.235 268 N HA 0.525 5.266 4.740 0.002 0.000 0.293 268 N C -0.516 175.006 175.510 0.020 0.000 1.083 268 N CA -0.538 52.526 53.050 0.024 0.000 0.801 268 N CB 2.223 40.756 38.487 0.077 0.000 1.559 268 N HN 0.518 nan 8.380 nan 0.000 0.472 269 S N 0.316 116.032 115.700 0.027 0.000 2.579 269 S HA 0.135 4.606 4.470 0.002 0.000 0.275 269 S C 0.431 175.065 174.600 0.056 0.000 1.345 269 S CA -0.099 58.125 58.200 0.041 0.000 1.031 269 S CB 0.203 63.435 63.200 0.053 0.000 0.892 269 S HN 0.605 nan 8.310 nan 0.000 0.529 270 N N 1.799 120.536 118.700 0.062 0.000 2.236 270 N HA 0.351 5.092 4.740 0.002 0.000 0.196 270 N C 0.705 176.264 175.510 0.083 0.000 1.114 270 N CA 0.438 53.528 53.050 0.067 0.000 0.859 270 N CB 0.576 39.099 38.487 0.060 0.000 0.982 270 N HN 0.894 nan 8.380 nan 0.000 0.493 271 G N 0.548 109.405 108.800 0.095 0.000 2.584 271 G HA2 -0.293 3.668 3.960 0.002 0.000 0.229 271 G HA3 -0.293 3.668 3.960 0.002 0.000 0.229 271 G C 0.471 175.439 174.900 0.112 0.000 1.320 271 G CA -0.296 44.878 45.100 0.124 0.000 0.891 271 G HN 0.116 nan 8.290 nan 0.000 0.573 272 L N 0.031 121.323 121.223 0.115 0.000 2.072 272 L HA -0.029 4.312 4.340 0.002 0.000 0.205 272 L C 3.223 180.144 176.870 0.085 0.000 1.079 272 L CA 1.432 56.315 54.840 0.073 0.000 0.752 272 L CB -0.755 41.316 42.059 0.019 0.000 0.906 272 L HN 0.491 nan 8.230 nan 0.000 0.436 273 V N 0.906 120.875 119.914 0.092 0.000 2.219 273 V HA -0.224 3.897 4.120 0.002 0.000 0.248 273 V C -0.278 175.863 176.094 0.079 0.000 1.053 273 V CA 2.470 64.818 62.300 0.079 0.000 1.009 273 V CB -1.813 30.047 31.823 0.061 0.000 0.636 273 V HN 0.376 nan 8.190 nan 0.000 0.445 274 P HA -0.195 nan 4.420 nan 0.000 0.222 274 P C 1.782 179.145 177.300 0.105 0.000 1.147 274 P CA 1.675 64.824 63.100 0.081 0.000 0.790 274 P CB -0.128 31.618 31.700 0.076 0.000 0.780 275 M N -0.539 119.127 119.600 0.110 0.000 2.099 275 M HA -0.078 4.403 4.480 0.002 0.000 0.262 275 M C 1.986 178.398 176.300 0.186 0.000 1.067 275 M CA 1.658 57.039 55.300 0.136 0.000 1.124 275 M CB -0.442 32.216 32.600 0.098 0.000 1.353 275 M HN -0.162 nan 8.290 nan 0.000 0.410 276 L N -0.673 120.631 121.223 0.135 0.000 2.275 276 L HA -0.141 4.200 4.340 0.002 0.000 0.215 276 L C 2.443 179.421 176.870 0.180 0.000 1.119 276 L CA 0.701 55.638 54.840 0.162 0.000 0.790 276 L CB -0.687 41.452 42.059 0.132 0.000 0.919 276 L HN 0.308 nan 8.230 nan 0.000 0.443 277 R N -0.271 120.307 120.500 0.129 0.000 2.096 277 R HA -0.116 4.225 4.340 0.002 0.000 0.235 277 R C 2.264 178.623 176.300 0.099 0.000 1.127 277 R CA 1.158 57.315 56.100 0.094 0.000 0.968 277 R CB -0.402 29.936 30.300 0.065 0.000 0.861 277 R HN 0.214 nan 8.270 nan 0.000 0.440 278 V N -0.011 119.976 119.914 0.122 0.000 2.343 278 V HA -0.262 3.859 4.120 0.002 0.000 0.247 278 V C 1.800 177.915 176.094 0.034 0.000 1.051 278 V CA 1.683 64.022 62.300 0.064 0.000 1.036 278 V CB -0.611 31.230 31.823 0.029 0.000 0.654 278 V HN 0.273 nan 8.190 nan 0.000 0.451 279 Y N 0.665 120.990 120.300 0.042 0.000 2.181 279 Y HA -0.252 4.299 4.550 0.002 0.000 0.288 279 Y C 2.566 178.513 175.900 0.079 0.000 1.146 279 Y CA 2.156 60.341 58.100 0.142 0.000 1.164 279 Y CB -0.494 38.075 38.460 0.182 0.000 0.982 279 Y HN 0.362 nan 8.280 nan 0.000 0.515 280 N N 0.263 119.061 118.700 0.163 0.000 2.043 280 N HA -0.226 4.515 4.740 0.002 0.000 0.193 280 N C 1.416 176.903 175.510 -0.038 0.000 1.037 280 N CA 1.899 54.960 53.050 0.017 0.000 0.851 280 N CB -0.226 38.279 38.487 0.029 0.000 1.027 280 N HN 0.121 nan 8.380 nan 0.000 0.422 281 N N -0.827 117.873 118.700 -0.000 0.000 2.309 281 N HA -0.062 4.679 4.740 0.002 0.000 0.182 281 N C 1.307 176.827 175.510 0.017 0.000 1.018 281 N CA 1.075 54.123 53.050 -0.003 0.000 0.876 281 N CB -0.596 37.890 38.487 -0.001 0.000 0.972 281 N HN 0.315 nan 8.380 nan 0.000 0.434 282 T N 0.226 114.788 114.554 0.015 0.000 2.821 282 T HA -0.022 4.330 4.350 0.002 0.000 0.267 282 T C 1.895 176.590 174.700 -0.009 0.000 1.046 282 T CA 1.232 63.375 62.100 0.071 0.000 1.139 282 T CB -0.227 68.688 68.868 0.079 0.000 0.871 282 T HN 0.329 nan 8.240 nan 0.000 0.454 283 A N 1.551 124.208 122.820 -0.271 0.000 1.930 283 A HA -0.033 4.288 4.320 0.002 0.000 0.217 283 A C 2.359 179.803 177.584 -0.233 0.000 1.175 283 A CA 1.029 52.737 52.037 -0.550 0.000 0.627 283 A CB -0.400 17.977 19.000 -1.038 0.000 0.815 283 A HN 0.345 nan 8.150 nan 0.000 0.443 284 R N -2.081 118.343 120.500 -0.127 0.000 2.081 284 R HA -0.165 4.176 4.340 0.002 0.000 0.235 284 R C 2.131 178.445 176.300 0.023 0.000 1.131 284 R CA 1.828 57.901 56.100 -0.045 0.000 0.960 284 R CB -0.457 29.835 30.300 -0.013 0.000 0.856 284 R HN 0.716 nan 8.270 nan 0.000 0.436 285 Y N 1.020 121.278 120.300 -0.071 0.000 2.153 285 Y HA -0.023 4.528 4.550 0.002 0.000 0.289 285 Y C 0.488 176.368 175.900 -0.033 0.000 1.127 285 Y CA 0.582 58.656 58.100 -0.042 0.000 1.131 285 Y CB 0.201 38.643 38.460 -0.031 0.000 0.995 285 Y HN -0.313 nan 8.280 nan 0.000 0.505 286 V N 3.697 123.483 119.914 -0.213 0.000 2.334 286 V HA 0.177 4.298 4.120 0.002 0.000 0.267 286 V C -0.577 175.425 176.094 -0.152 0.000 1.040 286 V CA -1.039 61.086 62.300 -0.291 0.000 0.866 286 V CB 0.474 32.229 31.823 -0.113 0.000 1.019 286 V HN 0.131 nan 8.190 nan 0.000 0.468 287 D N 3.191 123.490 120.400 -0.169 0.000 2.360 287 D HA 0.236 4.877 4.640 0.002 0.000 0.242 287 D C 0.298 176.566 176.300 -0.052 0.000 1.184 287 D CA -0.101 53.842 54.000 -0.095 0.000 0.930 287 D CB 0.730 41.468 40.800 -0.103 0.000 1.161 287 D HN 0.552 nan 8.370 nan 0.000 0.447 288 Q N 0.504 120.293 119.800 -0.017 0.000 2.322 288 Q HA 0.486 4.827 4.340 0.002 0.000 0.256 288 Q C 0.824 176.810 176.000 -0.024 0.000 0.960 288 Q CA -0.640 55.170 55.803 0.012 0.000 0.934 288 Q CB 1.268 30.042 28.738 0.060 0.000 1.200 288 Q HN 0.653 nan 8.270 nan 0.000 0.435 289 G N 2.368 111.145 108.800 -0.039 0.000 2.575 289 G HA2 -0.350 3.612 3.960 0.002 0.000 0.267 289 G HA3 -0.350 3.612 3.960 0.002 0.000 0.267 289 G C 0.619 175.447 174.900 -0.120 0.000 1.264 289 G CA -0.222 44.824 45.100 -0.090 0.000 0.935 289 G HN 0.742 nan 8.290 nan 0.000 0.568 290 G N -0.612 108.086 108.800 -0.171 0.000 2.490 290 G HA2 0.029 3.991 3.960 0.002 0.000 0.211 290 G HA3 0.029 3.991 3.960 0.002 0.000 0.211 290 G C 1.434 176.238 174.900 -0.161 0.000 1.159 290 G CA 1.206 46.209 45.100 -0.161 0.000 0.819 290 G HN 0.898 nan 8.290 nan 0.000 0.539 291 N N 1.363 119.933 118.700 -0.215 0.000 2.341 291 N HA -0.268 4.473 4.740 0.002 0.000 0.204 291 N C 0.609 176.055 175.510 -0.105 0.000 0.955 291 N CA 1.653 54.596 53.050 -0.179 0.000 0.946 291 N CB -0.295 38.086 38.487 -0.176 0.000 1.027 291 N HN 0.431 nan 8.380 nan 0.000 0.533 292 K N -2.568 117.777 120.400 -0.091 0.000 3.291 292 K HA -0.175 4.146 4.320 0.002 0.000 0.290 292 K C 0.309 176.885 176.600 -0.041 0.000 1.235 292 K CA 0.848 57.096 56.287 -0.064 0.000 0.848 292 K CB -2.062 30.405 32.500 -0.055 0.000 1.295 292 K HN 0.582 nan 8.250 nan 0.000 0.497 293 R N 1.490 121.970 120.500 -0.032 0.000 2.404 293 R HA 0.162 4.503 4.340 0.002 0.000 0.315 293 R C -2.226 174.076 176.300 0.002 0.000 1.032 293 R CA -0.806 55.296 56.100 0.002 0.000 0.992 293 R CB -0.980 29.336 30.300 0.027 0.000 0.959 293 R HN 0.054 nan 8.270 nan 0.000 0.428 294 P HA 0.100 nan 4.420 nan 0.000 0.269 294 P C 0.374 177.676 177.300 0.003 0.000 1.209 294 P CA 0.105 63.199 63.100 -0.009 0.000 0.776 294 P CB 0.868 32.567 31.700 -0.001 0.000 0.876 295 G N 1.447 110.213 108.800 -0.057 0.000 2.414 295 G HA2 0.353 4.314 3.960 0.002 0.000 0.236 295 G HA3 0.353 4.314 3.960 0.002 0.000 0.236 295 G C -0.273 174.597 174.900 -0.051 0.000 1.293 295 G CA -0.140 44.925 45.100 -0.058 0.000 0.869 295 G HN 0.643 nan 8.290 nan 0.000 0.556 296 A N 2.723 125.637 122.820 0.156 0.000 2.431 296 A HA 0.668 4.989 4.320 0.002 0.000 0.318 296 A C -0.436 177.454 177.584 0.510 0.000 1.330 296 A CA -0.694 51.522 52.037 0.298 0.000 0.804 296 A CB 0.328 19.460 19.000 0.220 0.000 1.135 296 A HN 0.613 nan 8.150 nan 0.000 0.483 297 F N 1.998 122.090 119.950 0.236 0.000 2.427 297 F HA 0.595 5.123 4.527 0.002 0.000 0.346 297 F C 0.797 176.676 175.800 0.131 0.000 1.120 297 F CA -0.966 57.125 58.000 0.152 0.000 1.033 297 F CB 2.050 41.107 39.000 0.096 0.000 1.126 297 F HN 0.586 nan 8.300 nan 0.000 0.462 298 A N 5.442 128.437 122.820 0.293 0.000 2.249 298 A HA 0.594 4.915 4.320 0.002 0.000 0.314 298 A C -0.514 177.099 177.584 0.048 0.000 1.290 298 A CA -0.646 51.464 52.037 0.120 0.000 0.893 298 A CB 0.191 19.333 19.000 0.236 0.000 1.165 298 A HN 0.561 nan 8.150 nan 0.000 0.530 299 I N 3.059 123.521 120.570 -0.180 0.000 2.325 299 I HA 0.203 4.375 4.170 0.002 0.000 0.291 299 I C -0.762 175.374 176.117 0.031 0.000 1.019 299 I CA -0.437 60.843 61.300 -0.033 0.000 1.302 299 I CB -0.166 37.828 38.000 -0.010 0.000 1.401 299 I HN 0.490 nan 8.210 nan 0.000 0.485 300 Y N 6.416 126.656 120.300 -0.100 0.000 2.330 300 Y HA 0.558 5.109 4.550 0.002 0.000 0.336 300 Y C 0.013 175.726 175.900 -0.312 0.000 1.036 300 Y CA -0.658 57.348 58.100 -0.156 0.000 1.125 300 Y CB 1.620 39.922 38.460 -0.262 0.000 1.194 300 Y HN 0.424 nan 8.280 nan 0.000 0.469 301 L N 2.929 123.951 121.223 -0.336 0.000 2.388 301 L HA 0.523 4.864 4.340 0.002 0.000 0.264 301 L C -0.903 175.707 176.870 -0.433 0.000 0.998 301 L CA -0.863 53.618 54.840 -0.597 0.000 0.817 301 L CB 2.147 43.446 42.059 -1.267 0.000 1.338 301 L HN 0.598 nan 8.230 nan 0.000 0.414 302 E N 4.768 124.660 120.200 -0.514 0.000 2.216 302 E HA 0.315 4.666 4.350 0.002 0.000 0.279 302 E C -1.924 174.234 176.600 -0.738 0.000 0.997 302 E CA -1.635 54.456 56.400 -0.515 0.000 0.817 302 E CB 1.198 30.623 29.700 -0.459 0.000 1.096 302 E HN 0.411 nan 8.360 nan 0.000 0.393 303 P HA -0.110 nan 4.420 nan 0.000 0.242 303 P C 0.556 177.933 177.300 0.129 0.000 1.197 303 P CA 0.611 63.468 63.100 -0.404 0.000 0.765 303 P CB -0.088 31.099 31.700 -0.856 0.000 0.936 304 W N -1.240 120.323 121.300 0.438 0.000 3.047 304 W HA 0.101 4.762 4.660 0.002 0.000 0.250 304 W C 0.397 177.088 176.519 0.287 0.000 1.314 304 W CA -0.385 57.245 57.345 0.474 0.000 1.540 304 W CB -1.581 28.114 29.460 0.392 0.000 1.127 304 W HN -0.004 nan 8.180 nan 0.000 0.679 305 H N 2.500 121.486 119.070 -0.141 0.000 2.722 305 H HA 0.004 4.561 4.556 0.002 0.000 0.328 305 H C 1.141 176.525 175.328 0.093 0.000 1.067 305 H CA 0.101 56.100 56.048 -0.082 0.000 1.447 305 H CB 1.874 31.334 29.762 -0.503 0.000 1.469 305 H HN 0.001 nan 8.280 nan 0.000 0.544 306 L N 4.400 125.676 121.223 0.089 0.000 2.197 306 L HA -0.185 4.156 4.340 0.002 0.000 0.215 306 L C 1.098 178.128 176.870 0.266 0.000 1.095 306 L CA 1.782 56.719 54.840 0.162 0.000 0.764 306 L CB -0.272 41.817 42.059 0.050 0.000 0.897 306 L HN 0.625 nan 8.230 nan 0.000 0.436 307 D N -1.255 119.386 120.400 0.401 0.000 2.325 307 D HA -0.006 4.635 4.640 0.002 0.000 0.225 307 D C 1.992 178.426 176.300 0.223 0.000 1.096 307 D CA 0.131 54.315 54.000 0.306 0.000 0.844 307 D CB 0.214 41.188 40.800 0.290 0.000 0.925 307 D HN 0.338 nan 8.370 nan 0.000 0.513 308 I N -0.090 120.584 120.570 0.172 0.000 2.264 308 I HA -0.245 3.926 4.170 0.002 0.000 0.248 308 I C 1.553 177.692 176.117 0.036 0.000 1.111 308 I CA 1.335 62.642 61.300 0.011 0.000 1.382 308 I CB -0.199 37.724 38.000 -0.128 0.000 1.060 308 I HN -0.137 nan 8.210 nan 0.000 0.418 309 F N 0.523 120.540 119.950 0.113 0.000 2.234 309 F HA -0.119 4.409 4.527 0.002 0.000 0.299 309 F C 2.356 178.188 175.800 0.053 0.000 1.087 309 F CA 1.110 59.161 58.000 0.085 0.000 1.340 309 F CB -0.489 38.566 39.000 0.091 0.000 1.031 309 F HN 0.072 nan 8.300 nan 0.000 0.500 310 E N -0.351 119.994 120.200 0.241 0.000 2.076 310 E HA -0.136 4.215 4.350 0.002 0.000 0.190 310 E C 1.897 178.527 176.600 0.051 0.000 0.979 310 E CA 0.685 57.160 56.400 0.125 0.000 0.807 310 E CB -0.729 29.044 29.700 0.123 0.000 0.761 310 E HN 0.320 nan 8.360 nan 0.000 0.454 311 F N 1.070 120.973 119.950 -0.077 0.000 2.115 311 F HA -0.212 4.316 4.527 0.002 0.000 0.300 311 F C 1.639 177.264 175.800 -0.291 0.000 1.092 311 F CA 1.409 59.306 58.000 -0.171 0.000 1.245 311 F CB -0.129 38.775 39.000 -0.160 0.000 0.995 311 F HN -0.020 nan 8.300 nan 0.000 0.481 312 L N -0.296 120.864 121.223 -0.105 0.000 2.456 312 L HA -0.156 4.185 4.340 0.002 0.000 0.224 312 L C 1.299 177.979 176.870 -0.318 0.000 1.148 312 L CA 0.862 55.552 54.840 -0.250 0.000 0.825 312 L CB -0.585 41.403 42.059 -0.118 0.000 0.937 312 L HN 0.092 nan 8.230 nan 0.000 0.450 313 D N -0.708 119.536 120.400 -0.261 0.000 2.366 313 D HA 0.030 4.671 4.640 0.002 0.000 0.205 313 D C 2.283 178.389 176.300 -0.324 0.000 1.022 313 D CA 0.318 54.184 54.000 -0.223 0.000 0.868 313 D CB 0.265 41.004 40.800 -0.101 0.000 0.953 313 D HN 0.206 nan 8.370 nan 0.000 0.514 314 L N 0.329 121.252 121.223 -0.501 0.000 2.129 314 L HA -0.153 4.188 4.340 0.002 0.000 0.212 314 L C 2.053 178.638 176.870 -0.475 0.000 1.087 314 L CA 1.141 55.677 54.840 -0.506 0.000 0.757 314 L CB -0.124 41.498 42.059 -0.729 0.000 0.896 314 L HN -0.082 nan 8.230 nan 0.000 0.434 315 K N 0.205 120.244 120.400 -0.601 0.000 2.387 315 K HA 0.069 4.390 4.320 0.002 0.000 0.198 315 K C 0.115 176.574 176.600 -0.235 0.000 1.022 315 K CA -0.050 56.015 56.287 -0.370 0.000 1.128 315 K CB 0.348 32.623 32.500 -0.375 0.000 0.853 315 K HN 0.081 nan 8.250 nan 0.000 0.523 316 K N 0.523 120.794 120.400 -0.216 0.000 2.249 316 K HA 0.034 4.355 4.320 0.002 0.000 0.280 316 K C 0.344 176.883 176.600 -0.101 0.000 1.033 316 K CA -0.199 56.002 56.287 -0.143 0.000 0.946 316 K CB 1.070 33.496 32.500 -0.123 0.000 1.005 316 K HN 0.054 nan 8.250 nan 0.000 0.469 317 N N 0.772 119.426 118.700 -0.077 0.000 2.094 317 N HA -0.127 4.614 4.740 0.002 0.000 0.191 317 N C -0.129 175.355 175.510 -0.044 0.000 1.023 317 N CA 1.264 54.282 53.050 -0.053 0.000 0.857 317 N CB 0.271 38.737 38.487 -0.035 0.000 1.013 317 N HN 0.423 nan 8.380 nan 0.000 0.426 318 T N -0.163 114.367 114.554 -0.041 0.000 2.845 318 T HA 0.602 4.953 4.350 0.002 0.000 0.288 318 T C -0.127 174.553 174.700 -0.035 0.000 0.980 318 T CA 0.200 62.282 62.100 -0.030 0.000 1.071 318 T CB 1.286 70.142 68.868 -0.020 0.000 0.941 318 T HN 0.521 nan 8.240 nan 0.000 0.487 319 G N 2.259 111.043 108.800 -0.027 0.000 2.334 319 G HA2 0.092 4.053 3.960 0.002 0.000 0.566 319 G HA3 0.092 4.053 3.960 0.002 0.000 0.566 319 G C -1.355 173.531 174.900 -0.023 0.000 1.413 319 G CA -1.201 43.884 45.100 -0.026 0.000 0.993 319 G HN 0.667 nan 8.290 nan 0.000 0.642 320 K N 0.390 120.780 120.400 -0.017 0.000 2.319 320 K HA 0.249 4.570 4.320 0.002 0.000 0.265 320 K C 1.048 177.638 176.600 -0.017 0.000 1.000 320 K CA -0.333 55.946 56.287 -0.013 0.000 0.943 320 K CB 0.927 33.423 32.500 -0.007 0.000 0.950 320 K HN 0.475 nan 8.250 nan 0.000 0.485 321 E N 1.959 122.151 120.200 -0.014 0.000 2.204 321 E HA -0.190 4.161 4.350 0.002 0.000 0.194 321 E C 1.524 178.119 176.600 -0.009 0.000 0.989 321 E CA 1.080 57.472 56.400 -0.015 0.000 0.824 321 E CB 0.098 29.791 29.700 -0.011 0.000 0.756 321 E HN 0.653 nan 8.360 nan 0.000 0.477 322 E N 0.834 121.032 120.200 -0.003 0.000 2.358 322 E HA -0.162 4.189 4.350 0.002 0.000 0.195 322 E C 0.947 177.550 176.600 0.005 0.000 1.010 322 E CA 0.613 57.017 56.400 0.006 0.000 0.856 322 E CB -0.157 29.550 29.700 0.011 0.000 0.795 322 E HN 0.332 nan 8.360 nan 0.000 0.504 323 Q N 0.473 120.269 119.800 -0.007 0.000 2.246 323 Q HA 0.211 4.552 4.340 0.002 0.000 0.202 323 Q C 0.005 175.979 176.000 -0.045 0.000 0.883 323 Q CA -0.068 55.726 55.803 -0.016 0.000 0.952 323 Q CB 0.625 29.355 28.738 -0.014 0.000 1.078 323 Q HN -0.011 nan 8.270 nan 0.000 0.493 324 R N 0.254 120.728 120.500 -0.043 0.000 2.807 324 R HA 0.720 5.061 4.340 0.002 0.000 0.276 324 R C -1.012 175.262 176.300 -0.043 0.000 0.979 324 R CA -0.811 55.247 56.100 -0.069 0.000 0.928 324 R CB 1.852 32.110 30.300 -0.070 0.000 1.191 324 R HN -0.019 nan 8.270 nan 0.000 0.471 325 A N 2.127 124.916 122.820 -0.052 0.000 3.307 325 A HA 0.268 4.589 4.320 0.002 0.000 0.289 325 A C 0.445 178.040 177.584 0.018 0.000 1.138 325 A CA -0.528 51.517 52.037 0.014 0.000 0.860 325 A CB 0.373 19.433 19.000 0.101 0.000 1.318 325 A HN 0.662 nan 8.150 nan 0.000 0.551 326 R N 0.204 120.673 120.500 -0.051 0.000 2.307 326 R HA 0.012 4.353 4.340 0.002 0.000 0.199 326 R C -0.086 176.121 176.300 -0.154 0.000 1.000 326 R CA 0.812 56.858 56.100 -0.089 0.000 1.023 326 R CB 0.321 30.567 30.300 -0.090 0.000 0.908 326 R HN 0.563 nan 8.270 nan 0.000 0.473 327 D N 0.349 120.646 120.400 -0.171 0.000 2.379 327 D HA 0.087 4.728 4.640 0.002 0.000 0.208 327 D C 0.692 176.720 176.300 -0.454 0.000 1.065 327 D CA 0.189 54.020 54.000 -0.282 0.000 0.848 327 D CB 0.590 41.277 40.800 -0.188 0.000 0.949 327 D HN 0.102 nan 8.370 nan 0.000 0.509 328 L N 0.370 121.374 121.223 -0.364 0.000 2.475 328 L HA 0.252 4.594 4.340 0.002 0.000 0.253 328 L C 0.020 176.347 176.870 -0.906 0.000 1.198 328 L CA -0.309 54.215 54.840 -0.527 0.000 0.814 328 L CB 0.430 42.222 42.059 -0.445 0.000 1.134 328 L HN -0.236 nan 8.230 nan 0.000 0.478 329 F N -0.220 119.360 119.950 -0.616 0.000 2.541 329 F HA 0.576 5.104 4.527 0.002 0.000 0.331 329 F C -0.437 174.612 175.800 -1.251 0.000 1.057 329 F CA -0.480 57.159 58.000 -0.602 0.000 0.975 329 F CB 1.417 40.301 39.000 -0.194 0.000 1.246 329 F HN 0.036 nan 8.300 nan 0.000 0.484 330 F N 0.817 120.482 119.950 -0.474 0.000 2.574 330 F HA 0.716 5.244 4.527 0.002 0.000 0.313 330 F C -0.229 175.091 175.800 -0.800 0.000 1.130 330 F CA -0.893 56.777 58.000 -0.549 0.000 0.936 330 F CB 1.666 40.289 39.000 -0.629 0.000 1.219 330 F HN 0.559 nan 8.300 nan 0.000 0.445 331 A N 3.386 125.912 122.820 -0.489 0.000 2.413 331 A HA 0.945 5.267 4.320 0.002 0.000 0.307 331 A C -1.474 175.989 177.584 -0.202 0.000 1.087 331 A CA -0.777 50.956 52.037 -0.508 0.000 0.750 331 A CB 1.419 19.791 19.000 -1.047 0.000 1.296 331 A HN 0.769 nan 8.150 nan 0.000 0.423 332 L N 1.190 122.331 121.223 -0.137 0.000 2.317 332 L HA 0.382 4.723 4.340 0.002 0.000 0.281 332 L C -0.517 176.379 176.870 0.043 0.000 1.024 332 L CA -0.266 54.507 54.840 -0.112 0.000 0.810 332 L CB 1.511 43.450 42.059 -0.201 0.000 1.240 332 L HN 0.804 nan 8.230 nan 0.000 0.427 333 W N 6.253 127.463 121.300 -0.151 0.000 2.295 333 W HA 0.499 5.160 4.660 0.002 0.000 0.333 333 W C -1.248 175.188 176.519 -0.139 0.000 0.990 333 W CA -0.642 56.663 57.345 -0.067 0.000 1.453 333 W CB 0.946 30.411 29.460 0.008 0.000 1.263 333 W HN 0.402 nan 8.180 nan 0.000 0.380 334 I N 8.969 129.385 120.570 -0.257 0.000 2.321 334 I HA 0.235 4.407 4.170 0.002 0.000 0.291 334 I C -1.689 174.302 176.117 -0.209 0.000 0.998 334 I CA -2.177 58.987 61.300 -0.228 0.000 1.227 334 I CB 1.678 39.565 38.000 -0.189 0.000 1.368 334 I HN 0.107 nan 8.210 nan 0.000 0.466 335 P HA 0.130 nan 4.420 nan 0.000 0.277 335 P C -0.297 176.981 177.300 -0.037 0.000 1.240 335 P CA -0.288 62.699 63.100 -0.189 0.000 0.798 335 P CB 1.323 32.773 31.700 -0.417 0.000 0.979 336 D N 0.907 121.344 120.400 0.061 0.000 2.149 336 D HA -0.173 4.468 4.640 0.002 0.000 0.194 336 D C 1.778 178.135 176.300 0.095 0.000 1.001 336 D CA 1.176 55.276 54.000 0.166 0.000 0.849 336 D CB -0.518 40.479 40.800 0.329 0.000 0.939 336 D HN 0.210 nan 8.370 nan 0.000 0.449 337 L N 0.055 121.398 121.223 0.199 0.000 2.042 337 L HA -0.163 4.178 4.340 0.002 0.000 0.210 337 L C 2.100 179.058 176.870 0.146 0.000 1.076 337 L CA 1.387 56.384 54.840 0.262 0.000 0.749 337 L CB -0.771 41.556 42.059 0.447 0.000 0.893 337 L HN -0.004 nan 8.230 nan 0.000 0.432 338 F N -0.721 119.126 119.950 -0.172 0.000 2.102 338 F HA -0.260 4.268 4.527 0.002 0.000 0.298 338 F C 2.245 177.763 175.800 -0.470 0.000 1.105 338 F CA 1.731 59.351 58.000 -0.633 0.000 1.239 338 F CB -0.248 38.218 39.000 -0.889 0.000 0.991 338 F HN 0.052 nan 8.300 nan 0.000 0.474 339 M N 0.396 119.607 119.600 -0.648 0.000 2.175 339 M HA -0.169 4.312 4.480 0.002 0.000 0.264 339 M C 2.029 177.981 176.300 -0.581 0.000 1.063 339 M CA 1.510 56.204 55.300 -1.009 0.000 1.119 339 M CB -1.143 30.262 32.600 -1.992 0.000 1.377 339 M HN 0.194 nan 8.290 nan 0.000 0.415 340 K N -0.292 119.935 120.400 -0.287 0.000 2.097 340 K HA -0.087 4.234 4.320 0.002 0.000 0.205 340 K C 2.159 178.734 176.600 -0.041 0.000 1.050 340 K CA 0.942 57.240 56.287 0.018 0.000 0.938 340 K CB -0.048 32.542 32.500 0.150 0.000 0.718 340 K HN 0.342 nan 8.250 nan 0.000 0.442 341 R N 0.405 120.849 120.500 -0.095 0.000 2.119 341 R HA -0.017 4.324 4.340 0.002 0.000 0.222 341 R C 2.296 178.506 176.300 -0.150 0.000 1.088 341 R CA 0.696 56.778 56.100 -0.030 0.000 0.984 341 R CB -0.288 30.102 30.300 0.148 0.000 0.884 341 R HN 0.002 nan 8.270 nan 0.000 0.447 342 V N 1.537 121.219 119.914 -0.388 0.000 2.287 342 V HA -0.272 3.849 4.120 0.002 0.000 0.248 342 V C 2.398 178.301 176.094 -0.319 0.000 1.053 342 V CA 2.041 64.090 62.300 -0.418 0.000 1.027 342 V CB -0.483 30.892 31.823 -0.747 0.000 0.646 342 V HN 0.400 nan 8.190 nan 0.000 0.447 343 E N 0.496 120.511 120.200 -0.307 0.000 2.047 343 E HA -0.217 4.134 4.350 0.002 0.000 0.191 343 E C 2.082 178.566 176.600 -0.194 0.000 0.987 343 E CA 1.793 57.970 56.400 -0.371 0.000 0.799 343 E CB -0.133 29.391 29.700 -0.293 0.000 0.752 343 E HN 0.747 nan 8.360 nan 0.000 0.449 344 T N -1.132 113.362 114.554 -0.100 0.000 3.194 344 T HA -0.041 4.310 4.350 0.002 0.000 0.251 344 T C 0.700 175.385 174.700 -0.026 0.000 1.132 344 T CA 0.563 62.636 62.100 -0.044 0.000 1.028 344 T CB -0.318 68.551 68.868 0.002 0.000 0.976 344 T HN 0.263 nan 8.240 nan 0.000 0.535 345 N N 1.083 119.757 118.700 -0.044 0.000 2.727 345 N HA -0.185 4.556 4.740 0.002 0.000 0.249 345 N C -0.430 175.109 175.510 0.048 0.000 1.048 345 N CA 0.588 53.639 53.050 0.001 0.000 0.714 345 N CB -1.588 36.902 38.487 0.005 0.000 0.959 345 N HN 0.778 nan 8.380 nan 0.000 0.544 346 Q N -0.395 119.447 119.800 0.069 0.000 2.185 346 Q HA 0.310 4.651 4.340 0.002 0.000 0.225 346 Q C -0.454 175.657 176.000 0.186 0.000 0.983 346 Q CA -0.690 55.184 55.803 0.118 0.000 0.950 346 Q CB 0.562 29.380 28.738 0.134 0.000 1.176 346 Q HN 0.275 nan 8.270 nan 0.000 0.510 347 D N 0.432 120.953 120.400 0.202 0.000 2.372 347 D HA 0.088 4.729 4.640 0.002 0.000 0.243 347 D C -1.278 175.265 176.300 0.405 0.000 1.121 347 D CA 0.220 54.374 54.000 0.257 0.000 0.898 347 D CB 0.565 41.470 40.800 0.176 0.000 1.202 347 D HN 0.340 nan 8.370 nan 0.000 0.428 348 W N 1.819 123.265 121.300 0.243 0.000 2.600 348 W HA 0.313 4.974 4.660 0.002 0.000 0.325 348 W C -1.192 175.531 176.519 0.341 0.000 1.034 348 W CA -0.672 56.878 57.345 0.341 0.000 1.226 348 W CB 1.479 31.182 29.460 0.405 0.000 1.379 348 W HN 0.088 nan 8.180 nan 0.000 0.466 349 S N 5.587 121.112 115.700 -0.292 0.000 2.499 349 S HA 0.467 4.938 4.470 0.002 0.000 0.279 349 S C -0.061 174.402 174.600 -0.230 0.000 1.219 349 S CA -0.566 57.503 58.200 -0.219 0.000 1.062 349 S CB 1.034 64.064 63.200 -0.282 0.000 0.978 349 S HN 0.360 nan 8.310 nan 0.000 0.489 350 L N 4.144 125.374 121.223 0.013 0.000 2.292 350 L HA 0.525 4.866 4.340 0.002 0.000 0.284 350 L C -0.141 176.794 176.870 0.109 0.000 1.065 350 L CA -0.096 54.836 54.840 0.154 0.000 0.806 350 L CB 0.841 43.040 42.059 0.232 0.000 1.175 350 L HN 0.483 nan 8.230 nan 0.000 0.431 351 M N 2.551 122.268 119.600 0.195 0.000 2.619 351 M HA 0.382 4.863 4.480 0.002 0.000 0.297 351 M C -0.983 175.357 176.300 0.068 0.000 1.229 351 M CA -0.443 54.914 55.300 0.096 0.000 0.860 351 M CB 2.723 35.346 32.600 0.039 0.000 1.741 351 M HN 0.582 nan 8.290 nan 0.000 0.462 352 C N 3.326 122.611 119.300 -0.025 0.000 2.319 352 C HA 0.539 5.000 4.460 0.002 0.000 0.335 352 C C -1.237 173.747 174.990 -0.010 0.000 1.274 352 C CA -1.824 57.155 59.018 -0.064 0.000 1.806 352 C CB 0.934 28.644 27.740 -0.050 0.000 2.329 352 C HN 0.688 nan 8.230 nan 0.000 0.524 353 P HA -0.126 nan 4.420 nan 0.000 0.222 353 P C 0.966 178.289 177.300 0.038 0.000 1.147 353 P CA 1.521 64.705 63.100 0.140 0.000 0.790 353 P CB 0.110 31.988 31.700 0.296 0.000 0.780 354 N N 0.618 119.331 118.700 0.022 0.000 2.171 354 N HA -0.154 4.587 4.740 0.002 0.000 0.184 354 N C 1.921 177.398 175.510 -0.054 0.000 1.021 354 N CA 1.134 54.187 53.050 0.006 0.000 0.854 354 N CB -0.525 37.979 38.487 0.028 0.000 0.994 354 N HN 0.126 nan 8.380 nan 0.000 0.426 355 E N -1.288 118.855 120.200 -0.095 0.000 2.208 355 E HA 0.003 4.354 4.350 0.002 0.000 0.193 355 E C -0.340 176.034 176.600 -0.376 0.000 0.988 355 E CA 0.591 56.882 56.400 -0.181 0.000 0.828 355 E CB 0.157 29.760 29.700 -0.162 0.000 0.763 355 E HN 0.284 nan 8.360 nan 0.000 0.478 356 C N 2.875 121.932 119.300 -0.406 0.000 3.169 356 C HA 0.408 4.870 4.460 0.002 0.000 0.232 356 C C -2.464 172.355 174.990 -0.284 0.000 1.316 356 C CA -1.519 57.024 59.018 -0.792 0.000 1.545 356 C CB 0.054 27.406 27.740 -0.646 0.000 1.785 356 C HN 0.277 nan 8.230 nan 0.000 0.454 357 P HA 0.307 nan 4.420 nan 0.000 0.275 357 P C 0.763 178.161 177.300 0.162 0.000 1.228 357 P CA 1.151 64.285 63.100 0.057 0.000 0.786 357 P CB 0.912 32.644 31.700 0.054 0.000 0.927 358 G N 1.778 110.668 108.800 0.150 0.000 2.132 358 G HA2 -0.254 3.707 3.960 0.002 0.000 0.234 358 G HA3 -0.254 3.707 3.960 0.002 0.000 0.234 358 G C 0.742 175.744 174.900 0.170 0.000 0.989 358 G CA 0.165 45.359 45.100 0.157 0.000 0.676 358 G HN 0.471 nan 8.290 nan 0.000 0.522 359 L N 0.650 121.963 121.223 0.150 0.000 2.141 359 L HA 0.026 4.367 4.340 0.002 0.000 0.209 359 L C 2.550 179.678 176.870 0.430 0.000 1.094 359 L CA 1.779 56.715 54.840 0.160 0.000 0.763 359 L CB -0.268 41.555 42.059 -0.394 0.000 0.908 359 L HN 0.477 nan 8.230 nan 0.000 0.437 360 D N -1.037 119.637 120.400 0.458 0.000 2.340 360 D HA -0.144 4.497 4.640 0.002 0.000 0.220 360 D C 1.294 177.798 176.300 0.341 0.000 1.039 360 D CA 0.437 54.711 54.000 0.455 0.000 0.866 360 D CB 0.039 41.077 40.800 0.396 0.000 0.913 360 D HN 0.289 nan 8.370 nan 0.000 0.523 361 E N -0.113 120.261 120.200 0.290 0.000 2.465 361 E HA 0.164 4.515 4.350 0.002 0.000 0.195 361 E C -0.165 176.588 176.600 0.256 0.000 1.028 361 E CA -0.280 56.270 56.400 0.250 0.000 0.899 361 E CB 0.947 30.760 29.700 0.189 0.000 1.032 361 E HN 0.267 nan 8.360 nan 0.000 0.468 362 V N -2.308 117.782 119.914 0.294 0.000 3.049 362 V HA 0.681 4.802 4.120 0.002 0.000 0.309 362 V C -1.235 175.070 176.094 0.353 0.000 1.148 362 V CA -1.152 61.290 62.300 0.236 0.000 0.990 362 V CB 1.380 33.270 31.823 0.111 0.000 1.039 362 V HN 0.193 nan 8.190 nan 0.000 0.430 363 W N 1.462 122.868 121.300 0.176 0.000 2.975 363 W HA 0.870 5.531 4.660 0.002 0.000 0.342 363 W C 0.291 176.896 176.519 0.142 0.000 1.168 363 W CA -0.713 56.695 57.345 0.104 0.000 1.141 363 W CB 0.681 30.158 29.460 0.028 0.000 1.445 363 W HN 1.705 nan 8.180 nan 0.000 0.560 364 G N 1.268 110.217 108.800 0.248 0.000 2.498 364 G HA2 -0.337 3.624 3.960 0.002 0.000 0.245 364 G HA3 -0.337 3.624 3.960 0.002 0.000 0.245 364 G C 0.689 175.611 174.900 0.037 0.000 1.204 364 G CA 0.542 45.700 45.100 0.097 0.000 0.933 364 G HN 0.670 nan 8.290 nan 0.000 0.574 365 E N 0.358 120.492 120.200 -0.110 0.000 2.118 365 E HA -0.162 4.189 4.350 0.002 0.000 0.195 365 E C 2.237 178.783 176.600 -0.091 0.000 0.992 365 E CA 1.563 57.919 56.400 -0.074 0.000 0.804 365 E CB -0.025 29.611 29.700 -0.107 0.000 0.741 365 E HN 0.624 nan 8.360 nan 0.000 0.458 366 E N 0.331 120.430 120.200 -0.169 0.000 2.051 366 E HA -0.158 4.193 4.350 0.002 0.000 0.189 366 E C 1.891 178.442 176.600 -0.081 0.000 0.979 366 E CA 0.472 56.781 56.400 -0.151 0.000 0.803 366 E CB -0.190 29.380 29.700 -0.218 0.000 0.761 366 E HN 0.178 nan 8.360 nan 0.000 0.451 367 F N 2.043 121.919 119.950 -0.123 0.000 2.091 367 F HA -0.245 4.283 4.527 0.002 0.000 0.299 367 F C 1.920 177.710 175.800 -0.017 0.000 1.103 367 F CA 2.211 60.186 58.000 -0.042 0.000 1.228 367 F CB -0.176 38.850 39.000 0.044 0.000 0.984 367 F HN 0.055 nan 8.300 nan 0.000 0.477 368 E N -0.014 120.198 120.200 0.020 0.000 2.160 368 E HA -0.274 4.077 4.350 0.002 0.000 0.195 368 E C 2.160 178.665 176.600 -0.157 0.000 0.991 368 E CA 1.491 57.868 56.400 -0.039 0.000 0.810 368 E CB -0.213 29.565 29.700 0.130 0.000 0.742 368 E HN 0.455 nan 8.360 nan 0.000 0.466 369 K N 0.394 120.692 120.400 -0.170 0.000 2.137 369 K HA -0.101 4.220 4.320 0.002 0.000 0.202 369 K C 2.095 178.521 176.600 -0.289 0.000 1.052 369 K CA 0.364 56.543 56.287 -0.179 0.000 0.961 369 K CB 0.088 32.503 32.500 -0.141 0.000 0.741 369 K HN 0.018 nan 8.250 nan 0.000 0.452 370 L N 0.743 121.734 121.223 -0.386 0.000 2.023 370 L HA -0.135 4.206 4.340 0.002 0.000 0.205 370 L C 2.147 178.573 176.870 -0.740 0.000 1.073 370 L CA 1.638 56.116 54.840 -0.603 0.000 0.745 370 L CB -0.873 40.859 42.059 -0.545 0.000 0.900 370 L HN 0.218 nan 8.230 nan 0.000 0.435 371 Y N 0.369 120.165 120.300 -0.840 0.000 2.069 371 Y HA -0.374 4.177 4.550 0.002 0.000 0.278 371 Y C 2.399 178.046 175.900 -0.421 0.000 1.175 371 Y CA 2.239 59.918 58.100 -0.703 0.000 1.134 371 Y CB -0.815 37.105 38.460 -0.899 0.000 0.965 371 Y HN 0.266 nan 8.280 nan 0.000 0.498 372 A N -0.669 121.972 122.820 -0.299 0.000 1.902 372 A HA -0.226 4.095 4.320 0.002 0.000 0.217 372 A C 2.516 179.942 177.584 -0.263 0.000 1.181 372 A CA 2.416 54.302 52.037 -0.252 0.000 0.623 372 A CB -1.461 17.475 19.000 -0.106 0.000 0.818 372 A HN 0.609 nan 8.150 nan 0.000 0.443 373 S N -1.525 114.005 115.700 -0.283 0.000 2.423 373 S HA -0.149 4.322 4.470 0.002 0.000 0.231 373 S C 1.869 176.381 174.600 -0.146 0.000 1.014 373 S CA 1.194 59.264 58.200 -0.218 0.000 0.965 373 S CB -0.748 62.313 63.200 -0.232 0.000 0.785 373 S HN 0.668 nan 8.310 nan 0.000 0.495 374 Y N 1.413 121.551 120.300 -0.270 0.000 2.263 374 Y HA 0.012 4.563 4.550 0.002 0.000 0.292 374 Y C 2.845 178.566 175.900 -0.299 0.000 1.130 374 Y CA 0.950 58.884 58.100 -0.277 0.000 1.179 374 Y CB -0.134 38.129 38.460 -0.328 0.000 0.998 374 Y HN 0.370 nan 8.280 nan 0.000 0.532 375 E N 0.708 120.760 120.200 -0.248 0.000 2.085 375 E HA -0.224 4.127 4.350 0.002 0.000 0.194 375 E C 1.891 178.403 176.600 -0.146 0.000 0.994 375 E CA 1.305 57.550 56.400 -0.259 0.000 0.801 375 E CB -0.107 29.386 29.700 -0.344 0.000 0.743 375 E HN 0.471 nan 8.360 nan 0.000 0.453 376 K N 0.475 120.801 120.400 -0.123 0.000 2.217 376 K HA -0.104 4.217 4.320 0.002 0.000 0.202 376 K C 1.997 178.561 176.600 -0.061 0.000 1.051 376 K CA 0.752 56.990 56.287 -0.081 0.000 0.952 376 K CB 0.041 32.496 32.500 -0.075 0.000 0.736 376 K HN 0.097 nan 8.250 nan 0.000 0.453 377 Q N -0.265 119.503 119.800 -0.052 0.000 2.472 377 Q HA 0.015 4.356 4.340 0.002 0.000 0.208 377 Q C 0.585 176.554 176.000 -0.052 0.000 0.958 377 Q CA 0.519 56.300 55.803 -0.036 0.000 0.932 377 Q CB 0.452 29.191 28.738 0.002 0.000 1.007 377 Q HN 0.501 nan 8.270 nan 0.000 0.508 378 G N 1.853 110.613 108.800 -0.067 0.000 2.198 378 G HA2 -0.299 3.662 3.960 0.002 0.000 0.257 378 G HA3 -0.299 3.662 3.960 0.002 0.000 0.257 378 G C -0.155 174.694 174.900 -0.086 0.000 1.042 378 G CA -0.145 44.912 45.100 -0.070 0.000 0.791 378 G HN 0.254 nan 8.290 nan 0.000 0.502 379 R N -0.208 120.226 120.500 -0.111 0.000 3.436 379 R HA 0.459 4.800 4.340 0.002 0.000 0.247 379 R C -0.562 175.644 176.300 -0.156 0.000 1.434 379 R CA -0.228 55.779 56.100 -0.154 0.000 1.543 379 R CB 1.048 31.200 30.300 -0.248 0.000 1.289 379 R HN 0.187 nan 8.270 nan 0.000 0.664 380 V N 2.144 121.991 119.914 -0.111 0.000 2.711 380 V HA 0.247 4.368 4.120 0.002 0.000 0.304 380 V C 0.561 176.625 176.094 -0.051 0.000 1.097 380 V CA -0.810 61.434 62.300 -0.094 0.000 0.906 380 V CB 2.334 34.093 31.823 -0.106 0.000 1.015 380 V HN 0.528 nan 8.190 nan 0.000 0.427 381 R N 2.019 122.504 120.500 -0.025 0.000 2.237 381 R HA 0.306 4.647 4.340 0.002 0.000 0.195 381 R C 0.399 176.714 176.300 0.026 0.000 0.956 381 R CA 0.203 56.304 56.100 0.001 0.000 1.029 381 R CB 0.556 30.862 30.300 0.010 0.000 0.972 381 R HN 0.637 nan 8.270 nan 0.000 0.493 382 K N 0.126 120.551 120.400 0.042 0.000 2.569 382 K HA 0.241 4.562 4.320 0.002 0.000 0.259 382 K C -1.700 174.951 176.600 0.086 0.000 0.932 382 K CA -0.349 55.978 56.287 0.068 0.000 0.833 382 K CB 2.180 34.739 32.500 0.097 0.000 1.340 382 K HN -0.234 nan 8.250 nan 0.000 0.429 383 V N 4.346 124.311 119.914 0.086 0.000 2.435 383 V HA 0.595 4.716 4.120 0.002 0.000 0.290 383 V C -0.327 175.871 176.094 0.172 0.000 1.030 383 V CA -0.608 61.763 62.300 0.117 0.000 0.881 383 V CB 1.278 33.149 31.823 0.080 0.000 0.983 383 V HN 0.574 nan 8.190 nan 0.000 0.445 384 V N 2.129 122.206 119.914 0.273 0.000 3.040 384 V HA 0.734 4.855 4.120 0.002 0.000 0.312 384 V C -0.429 175.876 176.094 0.352 0.000 1.115 384 V CA -1.545 60.941 62.300 0.311 0.000 0.998 384 V CB 1.979 34.063 31.823 0.435 0.000 1.042 384 V HN 0.611 nan 8.190 nan 0.000 0.433 385 K N 2.316 122.889 120.400 0.288 0.000 2.472 385 K HA 0.449 4.770 4.320 0.002 0.000 0.280 385 K C 1.316 178.136 176.600 0.368 0.000 1.028 385 K CA 0.911 57.364 56.287 0.278 0.000 1.045 385 K CB 0.636 33.255 32.500 0.199 0.000 0.902 385 K HN 1.014 nan 8.250 nan 0.000 0.478 386 A N 4.056 127.093 122.820 0.362 0.000 1.915 386 A HA -0.329 3.992 4.320 0.002 0.000 0.220 386 A C 1.854 179.580 177.584 0.237 0.000 1.198 386 A CA 2.013 54.213 52.037 0.271 0.000 0.647 386 A CB -0.475 18.544 19.000 0.032 0.000 0.825 386 A HN 0.882 nan 8.150 nan 0.000 0.456 387 Q N -1.169 118.758 119.800 0.213 0.000 2.226 387 Q HA -0.211 4.130 4.340 0.002 0.000 0.204 387 Q C 2.298 178.545 176.000 0.412 0.000 0.975 387 Q CA 1.469 57.451 55.803 0.298 0.000 0.866 387 Q CB -0.131 28.736 28.738 0.214 0.000 0.915 387 Q HN 0.829 nan 8.270 nan 0.000 0.440 388 Q N -0.028 119.993 119.800 0.369 0.000 2.046 388 Q HA -0.177 4.164 4.340 0.002 0.000 0.200 388 Q C 2.051 178.382 176.000 0.552 0.000 0.975 388 Q CA 1.010 57.056 55.803 0.406 0.000 0.836 388 Q CB -0.137 28.820 28.738 0.364 0.000 0.896 388 Q HN 0.252 nan 8.270 nan 0.000 0.428 389 L N 0.487 122.031 121.223 0.534 0.000 2.017 389 L HA -0.177 4.164 4.340 0.002 0.000 0.208 389 L C 1.870 178.929 176.870 0.316 0.000 1.073 389 L CA 1.805 56.794 54.840 0.248 0.000 0.745 389 L CB -0.921 41.240 42.059 0.170 0.000 0.894 389 L HN 0.456 nan 8.230 nan 0.000 0.432 390 W N -0.746 120.731 121.300 0.295 0.000 2.317 390 W HA -0.359 4.302 4.660 0.002 0.000 0.318 390 W C 2.536 179.255 176.519 0.334 0.000 1.227 390 W CA 2.146 59.660 57.345 0.282 0.000 1.269 390 W CB -0.766 28.826 29.460 0.220 0.000 1.155 390 W HN 0.353 nan 8.180 nan 0.000 0.484 391 Y N 1.432 121.966 120.300 0.390 0.000 2.151 391 Y HA -0.279 4.272 4.550 0.002 0.000 0.284 391 Y C 2.636 178.608 175.900 0.120 0.000 1.166 391 Y CA 3.260 61.534 58.100 0.290 0.000 1.163 391 Y CB -0.900 37.702 38.460 0.235 0.000 0.974 391 Y HN -0.019 nan 8.280 nan 0.000 0.511 392 A N -0.049 122.937 122.820 0.277 0.000 1.972 392 A HA -0.159 4.162 4.320 0.002 0.000 0.219 392 A C 2.235 179.778 177.584 -0.067 0.000 1.169 392 A CA 1.812 53.932 52.037 0.139 0.000 0.635 392 A CB -1.029 18.105 19.000 0.225 0.000 0.810 392 A HN 0.591 nan 8.150 nan 0.000 0.446 393 I N -0.751 119.719 120.570 -0.167 0.000 2.252 393 I HA -0.225 3.947 4.170 0.002 0.000 0.245 393 I C 2.260 178.190 176.117 -0.312 0.000 1.102 393 I CA 1.206 62.329 61.300 -0.294 0.000 1.385 393 I CB -0.301 37.429 38.000 -0.449 0.000 1.064 393 I HN 0.279 nan 8.210 nan 0.000 0.414 394 I N 0.596 120.951 120.570 -0.357 0.000 2.202 394 I HA -0.277 3.894 4.170 0.002 0.000 0.242 394 I C 2.623 178.627 176.117 -0.187 0.000 1.091 394 I CA 1.305 62.448 61.300 -0.262 0.000 1.368 394 I CB -0.330 37.537 38.000 -0.221 0.000 1.058 394 I HN 0.241 nan 8.210 nan 0.000 0.410 395 E N 0.429 120.494 120.200 -0.226 0.000 2.065 395 E HA -0.328 4.023 4.350 0.002 0.000 0.201 395 E C 2.289 178.821 176.600 -0.114 0.000 1.016 395 E CA 2.012 58.313 56.400 -0.165 0.000 0.818 395 E CB -0.091 29.532 29.700 -0.129 0.000 0.749 395 E HN 0.343 nan 8.360 nan 0.000 0.453 396 S N -0.342 115.281 115.700 -0.129 0.000 2.370 396 S HA -0.222 4.249 4.470 0.002 0.000 0.226 396 S C 1.931 176.452 174.600 -0.131 0.000 1.033 396 S CA 1.710 59.823 58.200 -0.145 0.000 1.011 396 S CB -0.132 62.956 63.200 -0.186 0.000 0.852 396 S HN 0.323 nan 8.310 nan 0.000 0.457 397 Q N -0.360 119.371 119.800 -0.115 0.000 2.123 397 Q HA -0.023 4.319 4.340 0.002 0.000 0.199 397 Q C 2.195 178.181 176.000 -0.022 0.000 0.966 397 Q CA 1.643 57.406 55.803 -0.066 0.000 0.845 397 Q CB -0.361 28.355 28.738 -0.037 0.000 0.907 397 Q HN 0.497 nan 8.270 nan 0.000 0.439 398 T N 1.138 115.679 114.554 -0.021 0.000 2.849 398 T HA -0.156 4.195 4.350 0.002 0.000 0.270 398 T C 1.194 175.935 174.700 0.069 0.000 1.066 398 T CA 1.506 63.625 62.100 0.031 0.000 1.130 398 T CB -0.058 68.814 68.868 0.008 0.000 0.864 398 T HN 0.393 nan 8.240 nan 0.000 0.481 399 E N 0.403 120.595 120.200 -0.013 0.000 2.152 399 E HA 0.011 4.363 4.350 0.002 0.000 0.195 399 E C 2.506 178.958 176.600 -0.247 0.000 0.934 399 E CA 1.102 57.473 56.400 -0.049 0.000 0.869 399 E CB -0.051 29.616 29.700 -0.056 0.000 0.842 399 E HN 0.508 nan 8.360 nan 0.000 0.472 400 T N -2.468 111.971 114.554 -0.192 0.000 3.037 400 T HA 0.245 4.597 4.350 0.002 0.000 0.252 400 T C 1.600 176.238 174.700 -0.104 0.000 1.073 400 T CA 0.550 62.535 62.100 -0.193 0.000 1.091 400 T CB 0.571 69.353 68.868 -0.143 0.000 0.935 400 T HN 0.321 nan 8.240 nan 0.000 0.488 401 G N 1.479 110.245 108.800 -0.057 0.000 2.137 401 G HA2 -0.165 3.796 3.960 0.002 0.000 0.237 401 G HA3 -0.165 3.796 3.960 0.002 0.000 0.237 401 G C 0.203 175.097 174.900 -0.011 0.000 1.002 401 G CA 0.675 45.802 45.100 0.045 0.000 0.702 401 G HN 1.366 nan 8.290 nan 0.000 0.515 402 T N -2.796 111.709 114.554 -0.081 0.000 2.841 402 T HA 0.828 5.179 4.350 0.002 0.000 0.296 402 T C -3.219 171.380 174.700 -0.169 0.000 1.166 402 T CA -1.350 60.664 62.100 -0.143 0.000 1.007 402 T CB 3.623 72.371 68.868 -0.200 0.000 1.253 402 T HN 0.104 nan 8.240 nan 0.000 0.511 403 P HA 0.272 nan 4.420 nan 0.000 0.276 403 P C -0.651 176.578 177.300 -0.118 0.000 1.244 403 P CA -0.472 62.490 63.100 -0.230 0.000 0.801 403 P CB 0.308 31.914 31.700 -0.157 0.000 1.006 404 Y N 0.167 120.372 120.300 -0.158 0.000 2.652 404 Y HA 0.105 4.656 4.550 0.002 0.000 0.344 404 Y C 1.237 177.045 175.900 -0.153 0.000 1.254 404 Y CA -0.041 57.987 58.100 -0.120 0.000 1.480 404 Y CB -0.285 38.128 38.460 -0.079 0.000 1.345 404 Y HN 0.172 nan 8.280 nan 0.000 0.617 405 M N 4.165 123.779 119.600 0.024 0.000 2.078 405 M HA 0.312 4.793 4.480 0.002 0.000 0.320 405 M C -1.457 174.672 176.300 -0.284 0.000 0.969 405 M CA -0.702 54.465 55.300 -0.223 0.000 0.929 405 M CB 0.796 33.239 32.600 -0.261 0.000 1.504 405 M HN 0.453 nan 8.290 nan 0.000 0.419 406 L N 3.386 124.420 121.223 -0.316 0.000 2.346 406 L HA 0.499 4.840 4.340 0.002 0.000 0.274 406 L C -1.022 175.483 176.870 -0.609 0.000 1.007 406 L CA -0.290 54.391 54.840 -0.266 0.000 0.818 406 L CB 1.746 43.939 42.059 0.224 0.000 1.284 406 L HN 0.436 nan 8.230 nan 0.000 0.424 407 Y N 2.462 122.669 120.300 -0.155 0.000 2.504 407 Y HA 0.224 4.776 4.550 0.002 0.000 0.339 407 Y C 1.247 176.850 175.900 -0.495 0.000 0.974 407 Y CA -0.385 57.578 58.100 -0.228 0.000 1.232 407 Y CB 1.202 39.660 38.460 -0.004 0.000 1.108 407 Y HN 0.616 nan 8.280 nan 0.000 0.509 408 K N 1.636 121.624 120.400 -0.687 0.000 2.044 408 K HA -0.246 4.075 4.320 0.002 0.000 0.210 408 K C 0.748 177.014 176.600 -0.556 0.000 1.049 408 K CA 2.349 57.968 56.287 -1.113 0.000 0.927 408 K CB 0.125 32.028 32.500 -0.996 0.000 0.713 408 K HN 0.696 nan 8.250 nan 0.000 0.443 409 D N -0.068 120.183 120.400 -0.248 0.000 2.123 409 D HA -0.074 4.567 4.640 0.002 0.000 0.200 409 D C 2.045 178.210 176.300 -0.224 0.000 0.976 409 D CA 1.127 55.091 54.000 -0.060 0.000 0.831 409 D CB -0.173 40.716 40.800 0.149 0.000 0.974 409 D HN 0.189 nan 8.370 nan 0.000 0.469 410 S N 0.247 115.833 115.700 -0.190 0.000 2.368 410 S HA -0.139 4.332 4.470 0.002 0.000 0.225 410 S C 2.350 176.749 174.600 -0.334 0.000 1.030 410 S CA 0.668 58.704 58.200 -0.273 0.000 0.999 410 S CB -0.485 62.588 63.200 -0.211 0.000 0.844 410 S HN 0.351 nan 8.310 nan 0.000 0.459 411 C N 2.362 121.475 119.300 -0.313 0.000 2.413 411 C HA -0.062 4.399 4.460 0.002 0.000 0.276 411 C C 2.663 177.452 174.990 -0.334 0.000 1.236 411 C CA 0.544 59.408 59.018 -0.256 0.000 1.735 411 C CB -1.499 26.106 27.740 -0.226 0.000 2.031 411 C HN 0.613 nan 8.230 nan 0.000 0.474 412 N N -0.028 118.338 118.700 -0.557 0.000 2.207 412 N HA -0.070 4.671 4.740 0.002 0.000 0.182 412 N C 1.986 176.793 175.510 -1.171 0.000 1.020 412 N CA 0.592 53.095 53.050 -0.912 0.000 0.858 412 N CB -0.446 37.153 38.487 -1.479 0.000 0.991 412 N HN 0.538 nan 8.380 nan 0.000 0.427 413 R N 1.531 121.319 120.500 -1.187 0.000 2.193 413 R HA -0.018 4.323 4.340 0.002 0.000 0.229 413 R C 0.412 176.463 176.300 -0.414 0.000 1.110 413 R CA 1.173 56.805 56.100 -0.779 0.000 0.988 413 R CB 0.211 30.298 30.300 -0.355 0.000 0.871 413 R HN 0.082 nan 8.270 nan 0.000 0.458 414 K N -0.271 119.896 120.400 -0.388 0.000 2.758 414 K HA 0.130 4.451 4.320 0.002 0.000 0.208 414 K C -0.725 175.781 176.600 -0.158 0.000 1.091 414 K CA -0.158 55.968 56.287 -0.268 0.000 1.059 414 K CB 1.448 33.717 32.500 -0.386 0.000 0.801 414 K HN -0.099 nan 8.250 nan 0.000 0.470 415 S N 0.637 116.231 115.700 -0.176 0.000 2.475 415 S HA 0.150 4.621 4.470 0.002 0.000 0.298 415 S C 0.663 175.231 174.600 -0.053 0.000 1.119 415 S CA -0.579 57.564 58.200 -0.095 0.000 1.085 415 S CB 1.103 64.242 63.200 -0.102 0.000 1.028 415 S HN 0.286 nan 8.310 nan 0.000 0.489 416 N N 3.300 121.997 118.700 -0.005 0.000 2.512 416 N HA -0.005 4.736 4.740 0.002 0.000 0.183 416 N C 1.188 176.709 175.510 0.018 0.000 1.073 416 N CA 1.061 54.129 53.050 0.030 0.000 0.911 416 N CB 0.058 38.596 38.487 0.085 0.000 0.964 416 N HN 0.691 nan 8.380 nan 0.000 0.447 417 Q N -0.471 119.313 119.800 -0.026 0.000 2.280 417 Q HA -0.004 4.337 4.340 0.002 0.000 0.202 417 Q C 1.298 177.246 176.000 -0.088 0.000 0.903 417 Q CA -0.099 55.658 55.803 -0.077 0.000 0.948 417 Q CB 0.240 28.919 28.738 -0.099 0.000 1.058 417 Q HN 0.683 nan 8.270 nan 0.000 0.493 418 Q N 0.729 120.499 119.800 -0.049 0.000 2.291 418 Q HA -0.185 4.156 4.340 0.002 0.000 0.205 418 Q C 1.362 177.364 176.000 0.003 0.000 0.970 418 Q CA 1.356 57.154 55.803 -0.008 0.000 0.876 418 Q CB -0.316 28.428 28.738 0.010 0.000 0.935 418 Q HN 0.303 nan 8.270 nan 0.000 0.455 419 N N 2.310 120.990 118.700 -0.033 0.000 2.132 419 N HA -0.224 4.517 4.740 0.002 0.000 0.191 419 N C 1.689 177.129 175.510 -0.118 0.000 1.015 419 N CA 1.695 54.714 53.050 -0.052 0.000 0.864 419 N CB -0.856 37.596 38.487 -0.058 0.000 1.006 419 N HN 0.406 nan 8.380 nan 0.000 0.430 420 L N -1.050 120.022 121.223 -0.252 0.000 2.362 420 L HA 0.158 4.499 4.340 0.002 0.000 0.219 420 L C 1.421 177.955 176.870 -0.560 0.000 1.134 420 L CA 0.609 55.122 54.840 -0.545 0.000 0.807 420 L CB -0.894 40.565 42.059 -1.000 0.000 0.927 420 L HN 0.574 nan 8.230 nan 0.000 0.447 421 G N -1.009 107.689 108.800 -0.170 0.000 2.353 421 G HA2 -0.136 3.825 3.960 0.002 0.000 0.615 421 G HA3 -0.136 3.825 3.960 0.002 0.000 0.615 421 G C -0.564 174.542 174.900 0.343 0.000 1.280 421 G CA -0.769 44.417 45.100 0.143 0.000 1.000 421 G HN -0.162 nan 8.290 nan 0.000 0.516 422 T N 0.897 115.710 114.554 0.431 0.000 2.834 422 T HA 0.439 4.790 4.350 0.002 0.000 0.298 422 T C 0.974 175.893 174.700 0.365 0.000 0.966 422 T CA 0.331 62.692 62.100 0.435 0.000 1.141 422 T CB 0.386 69.534 68.868 0.467 0.000 0.905 422 T HN 0.530 nan 8.240 nan 0.000 0.535 423 I N 3.771 124.518 120.570 0.295 0.000 2.471 423 I HA 0.133 4.304 4.170 0.002 0.000 0.286 423 I C 1.359 177.630 176.117 0.255 0.000 1.079 423 I CA 0.063 61.489 61.300 0.209 0.000 1.398 423 I CB 0.944 39.062 38.000 0.197 0.000 1.403 423 I HN 0.641 nan 8.210 nan 0.000 0.530 424 K N 4.582 124.893 120.400 -0.149 0.000 2.348 424 K HA 0.207 4.528 4.320 0.002 0.000 0.194 424 K C -0.085 175.615 176.600 -1.499 0.000 1.052 424 K CA 0.254 56.289 56.287 -0.419 0.000 1.004 424 K CB 0.319 32.645 32.500 -0.289 0.000 0.873 424 K HN 0.853 nan 8.250 nan 0.000 0.523 425 C N -3.721 114.585 119.300 -1.657 0.000 3.295 425 C HA 0.618 5.079 4.460 0.002 0.000 0.341 425 C C 0.043 174.139 174.990 -1.491 0.000 1.418 425 C CA -1.257 56.453 59.018 -2.180 0.000 1.240 425 C CB 1.162 27.910 27.740 -1.654 0.000 1.562 425 C HN 0.088 nan 8.230 nan 0.000 0.457 426 S N 0.542 115.392 115.700 -1.418 0.000 2.667 426 S HA 0.730 5.201 4.470 0.002 0.000 0.292 426 S C -0.138 174.185 174.600 -0.463 0.000 1.108 426 S CA -0.141 57.756 58.200 -0.506 0.000 0.992 426 S CB 0.796 64.039 63.200 0.072 0.000 1.269 426 S HN 1.160 nan 8.310 nan 0.000 0.528 427 N N 0.295 118.969 118.700 -0.043 0.000 2.725 427 N HA 0.192 4.934 4.740 0.002 0.000 0.312 427 N C 0.991 176.636 175.510 0.224 0.000 1.295 427 N CA -0.627 52.449 53.050 0.045 0.000 0.914 427 N CB -0.501 37.988 38.487 0.003 0.000 1.177 427 N HN 0.487 nan 8.380 nan 0.000 0.601 428 L N 0.166 121.492 121.223 0.173 0.000 2.021 428 L HA -0.113 4.228 4.340 0.002 0.000 0.215 428 L C 1.440 178.378 176.870 0.112 0.000 1.074 428 L CA 1.908 56.860 54.840 0.187 0.000 0.760 428 L CB -0.510 41.623 42.059 0.124 0.000 0.889 428 L HN 0.719 nan 8.230 nan 0.000 0.433 429 C N -0.264 118.984 119.300 -0.085 0.000 2.778 429 C HA 0.329 4.791 4.460 0.002 0.000 0.294 429 C C 1.475 176.043 174.990 -0.703 0.000 1.331 429 C CA 0.353 59.074 59.018 -0.495 0.000 1.741 429 C CB -1.898 25.656 27.740 -0.309 0.000 2.106 429 C HN 0.812 nan 8.230 nan 0.000 0.603 430 T N -0.599 113.782 114.554 -0.288 0.000 6.157 430 T HA -0.267 4.084 4.350 0.002 0.000 0.281 430 T C 0.768 175.405 174.700 -0.106 0.000 2.039 430 T CA 1.966 63.981 62.100 -0.142 0.000 3.312 430 T CB -1.644 67.074 68.868 -0.250 0.000 1.589 430 T HN 0.750 nan 8.240 nan 0.000 1.129 431 E N 0.664 120.793 120.200 -0.119 0.000 2.460 431 E HA 0.285 4.637 4.350 0.002 0.000 0.200 431 E C 0.480 177.074 176.600 -0.010 0.000 1.011 431 E CA -0.214 56.152 56.400 -0.056 0.000 0.912 431 E CB 0.219 29.877 29.700 -0.069 0.000 0.953 431 E HN 0.801 nan 8.360 nan 0.000 0.494 432 I N 1.736 122.298 120.570 -0.014 0.000 2.392 432 I HA 0.188 4.359 4.170 0.002 0.000 0.295 432 I C -0.607 175.510 176.117 -0.001 0.000 0.985 432 I CA -0.971 60.323 61.300 -0.010 0.000 1.221 432 I CB 2.176 40.155 38.000 -0.034 0.000 1.366 432 I HN -0.144 nan 8.210 nan 0.000 0.467 433 V N 6.877 126.800 119.914 0.016 0.000 2.357 433 V HA 0.521 4.642 4.120 0.002 0.000 0.281 433 V C -0.780 175.323 176.094 0.015 0.000 1.015 433 V CA 0.111 62.435 62.300 0.039 0.000 0.827 433 V CB 1.001 32.882 31.823 0.097 0.000 1.018 433 V HN 0.833 nan 8.190 nan 0.000 0.432 434 E N 4.454 124.645 120.200 -0.015 0.000 2.340 434 E HA 0.322 4.673 4.350 0.002 0.000 0.273 434 E C -1.767 174.846 176.600 0.021 0.000 0.891 434 E CA -0.888 55.518 56.400 0.009 0.000 0.757 434 E CB 2.721 32.421 29.700 -0.000 0.000 1.231 434 E HN 0.712 nan 8.360 nan 0.000 0.439 435 Y N 2.252 122.512 120.300 -0.067 0.000 2.511 435 Y HA 0.088 4.639 4.550 0.002 0.000 0.332 435 Y C -0.025 175.858 175.900 -0.028 0.000 1.177 435 Y CA 0.357 58.426 58.100 -0.053 0.000 1.422 435 Y CB 0.511 38.923 38.460 -0.079 0.000 1.271 435 Y HN 0.451 nan 8.280 nan 0.000 0.550 436 T N 2.151 116.295 114.554 -0.683 0.000 2.924 436 T HA 0.836 5.187 4.350 0.002 0.000 0.291 436 T C -0.512 173.690 174.700 -0.830 0.000 1.045 436 T CA -0.372 61.409 62.100 -0.532 0.000 1.015 436 T CB 1.562 70.230 68.868 -0.333 0.000 1.103 436 T HN 0.814 nan 8.240 nan 0.000 0.496 437 S N 0.295 115.761 115.700 -0.389 0.000 2.727 437 S HA 0.459 4.930 4.470 0.002 0.000 0.278 437 S C 0.417 174.970 174.600 -0.079 0.000 1.186 437 S CA -1.159 56.912 58.200 -0.215 0.000 0.836 437 S CB 1.270 64.448 63.200 -0.035 0.000 1.186 437 S HN 0.688 nan 8.310 nan 0.000 0.499 438 K N 0.872 121.258 120.400 -0.023 0.000 2.209 438 K HA -0.060 4.261 4.320 0.002 0.000 0.204 438 K C 0.887 177.494 176.600 0.012 0.000 1.048 438 K CA 1.846 58.132 56.287 -0.001 0.000 0.940 438 K CB -0.297 32.215 32.500 0.020 0.000 0.729 438 K HN 0.708 nan 8.250 nan 0.000 0.451 439 D N -0.118 120.301 120.400 0.031 0.000 2.369 439 D HA 0.000 4.641 4.640 0.002 0.000 0.211 439 D C -0.199 176.120 176.300 0.032 0.000 1.077 439 D CA 0.170 54.191 54.000 0.034 0.000 0.842 439 D CB 0.303 41.132 40.800 0.048 0.000 0.947 439 D HN 0.105 nan 8.370 nan 0.000 0.509 440 E N 0.420 120.640 120.200 0.032 0.000 2.241 440 E HA 0.441 4.792 4.350 0.002 0.000 0.263 440 E C -1.330 175.273 176.600 0.006 0.000 0.882 440 E CA -0.748 55.677 56.400 0.041 0.000 0.769 440 E CB 3.186 32.967 29.700 0.135 0.000 1.185 440 E HN -0.164 nan 8.360 nan 0.000 0.415 441 V N 2.742 122.670 119.914 0.023 0.000 2.334 441 V HA 0.425 4.546 4.120 0.002 0.000 0.281 441 V C 0.158 176.299 176.094 0.078 0.000 1.016 441 V CA -0.561 61.766 62.300 0.045 0.000 0.832 441 V CB 1.098 32.970 31.823 0.082 0.000 0.999 441 V HN 0.800 nan 8.190 nan 0.000 0.439 442 A N 5.449 128.296 122.820 0.046 0.000 2.386 442 A HA 0.740 5.062 4.320 0.002 0.000 0.248 442 A C -0.309 177.275 177.584 -0.000 0.000 1.082 442 A CA -0.194 51.866 52.037 0.038 0.000 0.789 442 A CB 0.716 19.727 19.000 0.019 0.000 1.025 442 A HN 0.713 nan 8.150 nan 0.000 0.490 443 V N 0.286 120.163 119.914 -0.061 0.000 2.789 443 V HA 0.507 4.628 4.120 0.002 0.000 0.311 443 V C -0.498 175.492 176.094 -0.173 0.000 1.073 443 V CA -0.674 61.482 62.300 -0.241 0.000 0.921 443 V CB 1.565 33.296 31.823 -0.153 0.000 1.009 443 V HN 1.047 nan 8.190 nan 0.000 0.426 444 C N 3.565 122.725 119.300 -0.234 0.000 2.441 444 C HA 0.591 5.052 4.460 0.002 0.000 0.318 444 C C -0.120 174.799 174.990 -0.119 0.000 1.222 444 C CA -0.782 58.160 59.018 -0.126 0.000 1.474 444 C CB 0.980 28.674 27.740 -0.078 0.000 2.125 444 C HN 1.030 nan 8.230 nan 0.000 0.479 445 N N 3.958 122.624 118.700 -0.056 0.000 2.455 445 N HA 0.686 5.427 4.740 0.002 0.000 0.280 445 N C -1.121 174.401 175.510 0.020 0.000 1.055 445 N CA -0.166 52.875 53.050 -0.015 0.000 0.961 445 N CB 0.756 39.247 38.487 0.008 0.000 1.121 445 N HN 0.503 nan 8.380 nan 0.000 0.476 446 L N 1.405 122.655 121.223 0.044 0.000 2.362 446 L HA 0.907 5.248 4.340 0.002 0.000 0.271 446 L C -0.410 176.510 176.870 0.083 0.000 1.002 446 L CA -0.901 53.969 54.840 0.049 0.000 0.818 446 L CB 1.785 43.864 42.059 0.033 0.000 1.298 446 L HN 0.612 nan 8.230 nan 0.000 0.420 447 A N 1.419 124.273 122.820 0.057 0.000 2.594 447 A HA 0.793 5.114 4.320 0.002 0.000 0.295 447 A C -1.018 176.608 177.584 0.069 0.000 1.071 447 A CA -0.490 51.577 52.037 0.051 0.000 0.685 447 A CB 2.116 21.092 19.000 -0.040 0.000 1.285 447 A HN 0.609 nan 8.150 nan 0.000 0.405 448 S N 0.835 116.606 115.700 0.118 0.000 2.532 448 S HA 0.721 5.192 4.470 0.002 0.000 0.299 448 S C -0.829 173.881 174.600 0.182 0.000 1.105 448 S CA -0.583 57.688 58.200 0.118 0.000 1.018 448 S CB 0.761 64.019 63.200 0.097 0.000 1.021 448 S HN 0.711 nan 8.310 nan 0.000 0.483 449 L N 2.842 124.145 121.223 0.134 0.000 2.331 449 L HA 0.569 4.910 4.340 0.002 0.000 0.278 449 L C 0.716 177.706 176.870 0.201 0.000 1.106 449 L CA -0.577 54.375 54.840 0.187 0.000 0.824 449 L CB 0.968 43.050 42.059 0.039 0.000 1.142 449 L HN 0.944 nan 8.230 nan 0.000 0.443 450 A N 4.996 127.996 122.820 0.301 0.000 2.805 450 A HA 0.318 4.639 4.320 0.002 0.000 0.301 450 A C 1.146 178.914 177.584 0.306 0.000 1.557 450 A CA -0.348 51.816 52.037 0.211 0.000 1.254 450 A CB -0.292 18.764 19.000 0.093 0.000 1.114 450 A HN 0.889 nan 8.150 nan 0.000 0.553 451 L N 1.751 123.112 121.223 0.230 0.000 2.191 451 L HA -0.217 4.124 4.340 0.002 0.000 0.212 451 L C 2.574 179.632 176.870 0.313 0.000 1.103 451 L CA 1.208 56.233 54.840 0.308 0.000 0.769 451 L CB -0.601 41.525 42.059 0.112 0.000 0.908 451 L HN 0.882 nan 8.230 nan 0.000 0.438 452 N N 0.403 119.175 118.700 0.119 0.000 2.133 452 N HA -0.289 4.452 4.740 0.002 0.000 0.193 452 N C 1.609 177.040 175.510 -0.132 0.000 1.012 452 N CA 1.691 54.739 53.050 -0.002 0.000 0.871 452 N CB -0.444 38.033 38.487 -0.017 0.000 1.011 452 N HN 0.326 nan 8.380 nan 0.000 0.435 453 M N -0.074 119.380 119.600 -0.243 0.000 2.446 453 M HA -0.054 4.427 4.480 0.002 0.000 0.263 453 M C 0.714 176.583 176.300 -0.718 0.000 1.066 453 M CA 0.923 55.802 55.300 -0.701 0.000 1.087 453 M CB -0.859 31.021 32.600 -1.200 0.000 1.406 453 M HN 0.185 nan 8.290 nan 0.000 0.459 454 Y N -0.889 119.226 120.300 -0.307 0.000 2.458 454 Y HA 0.172 4.723 4.550 0.002 0.000 0.256 454 Y C 0.808 176.248 175.900 -0.767 0.000 1.159 454 Y CA -0.496 57.327 58.100 -0.463 0.000 1.261 454 Y CB 0.143 38.246 38.460 -0.596 0.000 1.119 454 Y HN -0.247 nan 8.280 nan 0.000 0.524 455 V N 2.044 121.685 119.914 -0.455 0.000 2.488 455 V HA 0.128 4.249 4.120 0.002 0.000 0.277 455 V C 0.666 176.635 176.094 -0.207 0.000 1.046 455 V CA -0.667 61.437 62.300 -0.327 0.000 0.986 455 V CB 0.627 32.336 31.823 -0.191 0.000 0.989 455 V HN 0.345 nan 8.190 nan 0.000 0.475 456 T N 1.665 116.127 114.554 -0.153 0.000 2.847 456 T HA 0.190 4.541 4.350 0.002 0.000 0.279 456 T C 1.247 175.922 174.700 -0.041 0.000 0.984 456 T CA -0.166 61.879 62.100 -0.092 0.000 0.988 456 T CB 1.206 70.027 68.868 -0.079 0.000 1.040 456 T HN 0.475 nan 8.240 nan 0.000 0.528 457 S N -0.174 115.494 115.700 -0.053 0.000 2.442 457 S HA -0.074 4.397 4.470 0.002 0.000 0.236 457 S C 1.674 176.195 174.600 -0.131 0.000 1.007 457 S CA 1.067 59.228 58.200 -0.064 0.000 0.965 457 S CB -0.473 62.682 63.200 -0.075 0.000 0.773 457 S HN 0.880 nan 8.310 nan 0.000 0.504 458 E N 0.468 120.609 120.200 -0.098 0.000 2.511 458 E HA -0.079 4.272 4.350 0.002 0.000 0.196 458 E C -0.363 176.197 176.600 -0.068 0.000 1.066 458 E CA 0.122 56.449 56.400 -0.122 0.000 0.871 458 E CB -0.179 29.484 29.700 -0.063 0.000 0.863 458 E HN 0.378 nan 8.360 nan 0.000 0.520 459 H N -0.985 118.031 119.070 -0.089 0.000 2.862 459 H HA -0.160 4.397 4.556 0.002 0.000 0.290 459 H C -0.461 174.810 175.328 -0.096 0.000 1.211 459 H CA 1.196 57.175 56.048 -0.115 0.000 1.140 459 H CB -2.728 26.965 29.762 -0.114 0.000 1.341 459 H HN 0.296 nan 8.280 nan 0.000 0.392 460 T N -3.827 110.746 114.554 0.031 0.000 2.945 460 T HA 0.546 4.897 4.350 0.002 0.000 0.286 460 T C -0.108 174.561 174.700 -0.050 0.000 1.025 460 T CA -0.974 61.135 62.100 0.015 0.000 1.039 460 T CB 2.554 71.430 68.868 0.013 0.000 1.068 460 T HN 0.201 nan 8.240 nan 0.000 0.497 461 Y N 1.137 121.318 120.300 -0.198 0.000 2.313 461 Y HA 0.332 4.883 4.550 0.002 0.000 0.332 461 Y C 0.307 175.887 175.900 -0.533 0.000 1.071 461 Y CA -0.519 57.325 58.100 -0.427 0.000 1.169 461 Y CB 1.095 39.127 38.460 -0.713 0.000 1.192 461 Y HN 0.740 nan 8.280 nan 0.000 0.487 462 D N 5.806 125.859 120.400 -0.579 0.000 2.563 462 D HA 0.036 4.677 4.640 0.002 0.000 0.222 462 D C 0.361 176.633 176.300 -0.045 0.000 1.145 462 D CA 0.209 54.080 54.000 -0.215 0.000 1.001 462 D CB -0.456 40.282 40.800 -0.104 0.000 1.049 462 D HN 0.596 nan 8.370 nan 0.000 0.515 463 F N 1.209 121.283 119.950 0.206 0.000 2.293 463 F HA -0.077 4.452 4.527 0.002 0.000 0.300 463 F C 2.267 178.237 175.800 0.283 0.000 1.086 463 F CA 0.663 58.826 58.000 0.271 0.000 1.375 463 F CB 0.134 39.232 39.000 0.163 0.000 1.045 463 F HN 0.148 nan 8.300 nan 0.000 0.516 464 K N 0.122 120.711 120.400 0.315 0.000 2.211 464 K HA -0.163 4.158 4.320 0.002 0.000 0.203 464 K C 1.915 178.629 176.600 0.190 0.000 1.050 464 K CA 0.905 57.353 56.287 0.268 0.000 0.945 464 K CB -0.060 32.516 32.500 0.127 0.000 0.732 464 K HN -0.067 nan 8.250 nan 0.000 0.451 465 K N 0.610 121.109 120.400 0.165 0.000 2.076 465 K HA -0.013 4.308 4.320 0.002 0.000 0.204 465 K C 1.739 178.475 176.600 0.226 0.000 1.051 465 K CA 0.606 56.979 56.287 0.143 0.000 0.949 465 K CB -0.286 32.294 32.500 0.133 0.000 0.726 465 K HN -0.056 nan 8.250 nan 0.000 0.443 466 L N 0.895 122.229 121.223 0.184 0.000 1.990 466 L HA -0.135 4.206 4.340 0.002 0.000 0.213 466 L C 2.123 178.969 176.870 -0.042 0.000 1.072 466 L CA 2.376 57.124 54.840 -0.154 0.000 0.755 466 L CB -1.254 40.709 42.059 -0.161 0.000 0.889 466 L HN 0.273 nan 8.230 nan 0.000 0.432 467 A N -0.920 121.934 122.820 0.056 0.000 1.883 467 A HA -0.291 4.030 4.320 0.002 0.000 0.217 467 A C 2.311 179.870 177.584 -0.042 0.000 1.186 467 A CA 1.854 53.871 52.037 -0.034 0.000 0.624 467 A CB -0.823 18.142 19.000 -0.059 0.000 0.822 467 A HN 0.646 nan 8.150 nan 0.000 0.444 468 E N -0.156 120.044 120.200 -0.001 0.000 2.118 468 E HA -0.154 4.197 4.350 0.002 0.000 0.195 468 E C 1.774 178.330 176.600 -0.073 0.000 0.992 468 E CA 1.697 58.075 56.400 -0.037 0.000 0.804 468 E CB -0.156 29.520 29.700 -0.039 0.000 0.741 468 E HN 0.331 nan 8.360 nan 0.000 0.458 469 V N 0.792 120.672 119.914 -0.057 0.000 2.407 469 V HA -0.181 3.940 4.120 0.002 0.000 0.245 469 V C 2.395 178.391 176.094 -0.164 0.000 1.041 469 V CA 1.973 64.226 62.300 -0.077 0.000 1.040 469 V CB -0.649 31.236 31.823 0.103 0.000 0.671 469 V HN 0.357 nan 8.190 nan 0.000 0.455 470 T N 0.315 114.786 114.554 -0.139 0.000 2.699 470 T HA -0.231 4.120 4.350 0.002 0.000 0.268 470 T C 1.872 176.478 174.700 -0.157 0.000 1.036 470 T CA 1.550 63.552 62.100 -0.163 0.000 1.147 470 T CB -0.257 68.534 68.868 -0.127 0.000 0.862 470 T HN 0.511 nan 8.240 nan 0.000 0.446 471 K N 0.756 121.079 120.400 -0.127 0.000 2.063 471 K HA -0.059 4.262 4.320 0.002 0.000 0.208 471 K C 2.368 178.903 176.600 -0.108 0.000 1.048 471 K CA 1.063 57.285 56.287 -0.108 0.000 0.928 471 K CB -0.802 31.645 32.500 -0.088 0.000 0.713 471 K HN 0.243 nan 8.250 nan 0.000 0.442 472 V N 1.783 121.620 119.914 -0.129 0.000 2.237 472 V HA -0.240 3.881 4.120 0.002 0.000 0.245 472 V C 2.552 178.560 176.094 -0.143 0.000 1.046 472 V CA 1.614 63.849 62.300 -0.108 0.000 1.007 472 V CB -0.529 31.228 31.823 -0.110 0.000 0.638 472 V HN 0.045 nan 8.190 nan 0.000 0.445 473 V N -0.205 119.500 119.914 -0.347 0.000 2.250 473 V HA -0.308 3.813 4.120 0.002 0.000 0.250 473 V C 2.444 178.447 176.094 -0.152 0.000 1.060 473 V CA 2.271 64.331 62.300 -0.400 0.000 1.030 473 V CB -0.783 30.698 31.823 -0.570 0.000 0.643 473 V HN 0.397 nan 8.190 nan 0.000 0.445 474 V N -0.265 119.576 119.914 -0.122 0.000 2.250 474 V HA -0.384 3.737 4.120 0.002 0.000 0.253 474 V C 2.619 178.700 176.094 -0.022 0.000 1.065 474 V CA 2.658 64.922 62.300 -0.059 0.000 1.039 474 V CB -0.794 30.990 31.823 -0.064 0.000 0.647 474 V HN 0.488 nan 8.190 nan 0.000 0.446 475 R N -0.250 120.242 120.500 -0.014 0.000 2.096 475 R HA -0.154 4.187 4.340 0.002 0.000 0.235 475 R C 2.195 178.536 176.300 0.069 0.000 1.127 475 R CA 1.671 57.789 56.100 0.030 0.000 0.968 475 R CB -0.410 29.916 30.300 0.043 0.000 0.861 475 R HN 0.560 nan 8.270 nan 0.000 0.440 476 N N 0.681 119.439 118.700 0.097 0.000 2.106 476 N HA -0.117 4.624 4.740 0.002 0.000 0.188 476 N C 1.759 177.319 175.510 0.083 0.000 1.029 476 N CA 1.175 54.297 53.050 0.120 0.000 0.848 476 N CB -0.199 38.471 38.487 0.305 0.000 1.007 476 N HN 0.187 nan 8.380 nan 0.000 0.423 477 L N 0.146 121.426 121.223 0.096 0.000 2.217 477 L HA -0.023 4.318 4.340 0.002 0.000 0.211 477 L C 1.890 178.781 176.870 0.036 0.000 1.107 477 L CA 0.625 55.512 54.840 0.077 0.000 0.783 477 L CB -0.387 41.712 42.059 0.067 0.000 0.919 477 L HN 0.146 nan 8.230 nan 0.000 0.442 478 N N 0.451 119.167 118.700 0.027 0.000 2.171 478 N HA -0.155 4.586 4.740 0.002 0.000 0.184 478 N C 1.824 177.346 175.510 0.020 0.000 1.021 478 N CA 1.086 54.148 53.050 0.021 0.000 0.854 478 N CB 0.129 38.625 38.487 0.015 0.000 0.994 478 N HN 0.115 nan 8.380 nan 0.000 0.426 479 K N 0.105 120.512 120.400 0.011 0.000 2.063 479 K HA -0.100 4.221 4.320 0.002 0.000 0.208 479 K C 1.901 178.489 176.600 -0.020 0.000 1.048 479 K CA 1.207 57.489 56.287 -0.009 0.000 0.928 479 K CB -0.198 32.273 32.500 -0.049 0.000 0.713 479 K HN 0.285 nan 8.250 nan 0.000 0.442 480 I N 1.017 121.569 120.570 -0.030 0.000 2.286 480 I HA -0.290 3.881 4.170 0.002 0.000 0.248 480 I C 2.129 178.239 176.117 -0.012 0.000 1.115 480 I CA 1.113 62.389 61.300 -0.041 0.000 1.392 480 I CB -0.226 37.751 38.000 -0.038 0.000 1.065 480 I HN 0.147 nan 8.210 nan 0.000 0.418 481 I N 0.662 121.252 120.570 0.032 0.000 2.248 481 I HA -0.348 3.823 4.170 0.002 0.000 0.248 481 I C 1.635 177.833 176.117 0.135 0.000 1.107 481 I CA 1.485 62.847 61.300 0.103 0.000 1.373 481 I CB -0.392 37.661 38.000 0.088 0.000 1.055 481 I HN 0.271 nan 8.210 nan 0.000 0.418 482 D N 0.247 120.691 120.400 0.073 0.000 2.349 482 D HA 0.049 4.691 4.640 0.002 0.000 0.215 482 D C 1.687 178.020 176.300 0.056 0.000 1.016 482 D CA 0.859 54.905 54.000 0.077 0.000 0.870 482 D CB 0.387 41.217 40.800 0.050 0.000 0.917 482 D HN 0.556 nan 8.370 nan 0.000 0.524 483 I N -3.201 117.376 120.570 0.012 0.000 4.327 483 I HA 0.226 4.398 4.170 0.002 0.000 0.331 483 I C 0.331 176.406 176.117 -0.071 0.000 1.348 483 I CA -0.549 60.741 61.300 -0.016 0.000 1.152 483 I CB 0.120 38.103 38.000 -0.028 0.000 1.151 483 I HN -0.341 nan 8.210 nan 0.000 0.410 484 N N 2.117 120.724 118.700 -0.154 0.000 2.492 484 N HA 0.137 4.878 4.740 0.002 0.000 0.260 484 N C -0.499 174.748 175.510 -0.437 0.000 1.215 484 N CA 0.399 53.240 53.050 -0.347 0.000 0.923 484 N CB 0.423 38.578 38.487 -0.554 0.000 1.092 484 N HN 0.321 nan 8.380 nan 0.000 0.448 485 Y N 2.591 122.709 120.300 -0.303 0.000 2.477 485 Y HA 0.375 4.926 4.550 0.002 0.000 0.349 485 Y C -0.816 174.972 175.900 -0.187 0.000 0.977 485 Y CA -0.922 57.083 58.100 -0.160 0.000 1.214 485 Y CB -0.594 37.834 38.460 -0.054 0.000 1.124 485 Y HN 0.563 nan 8.280 nan 0.000 0.521 486 Y N 6.035 126.388 120.300 0.088 0.000 2.336 486 Y HA 0.298 4.849 4.550 0.002 0.000 0.335 486 Y C -1.014 174.927 175.900 0.069 0.000 1.046 486 Y CA -2.454 55.722 58.100 0.127 0.000 1.198 486 Y CB 1.294 39.824 38.460 0.117 0.000 1.182 486 Y HN 0.570 nan 8.280 nan 0.000 0.502 487 P HA -0.035 nan 4.420 nan 0.000 0.231 487 P C -0.406 176.907 177.300 0.021 0.000 1.168 487 P CA 0.788 63.906 63.100 0.030 0.000 0.779 487 P CB 0.407 32.048 31.700 -0.098 0.000 0.844 488 V N -4.197 115.751 119.914 0.057 0.000 2.760 488 V HA 0.420 4.541 4.120 0.002 0.000 0.309 488 V C -2.062 174.066 176.094 0.057 0.000 1.077 488 V CA -2.305 60.014 62.300 0.031 0.000 0.910 488 V CB 1.894 33.706 31.823 -0.018 0.000 1.008 488 V HN -0.332 nan 8.190 nan 0.000 0.424 489 P HA -0.105 nan 4.420 nan 0.000 0.221 489 P C 0.996 178.281 177.300 -0.025 0.000 1.145 489 P CA 1.264 64.369 63.100 0.008 0.000 0.795 489 P CB 0.460 32.165 31.700 0.009 0.000 0.775 490 E N 0.015 120.210 120.200 -0.008 0.000 2.268 490 E HA -0.052 4.299 4.350 0.002 0.000 0.195 490 E C 2.196 178.781 176.600 -0.025 0.000 0.995 490 E CA 1.201 57.594 56.400 -0.013 0.000 0.836 490 E CB -0.751 28.951 29.700 0.003 0.000 0.763 490 E HN 0.239 nan 8.360 nan 0.000 0.491 491 A N 0.274 123.094 122.820 -0.000 0.000 1.874 491 A HA -0.166 4.155 4.320 0.002 0.000 0.214 491 A C 2.348 179.693 177.584 -0.398 0.000 1.189 491 A CA 1.108 53.142 52.037 -0.005 0.000 0.615 491 A CB -1.143 18.059 19.000 0.336 0.000 0.830 491 A HN 0.475 nan 8.150 nan 0.000 0.443 492 C N -0.686 118.259 119.300 -0.591 0.000 2.376 492 C HA -0.165 4.296 4.460 0.002 0.000 0.275 492 C C 2.505 177.222 174.990 -0.456 0.000 1.200 492 C CA 1.560 60.044 59.018 -0.890 0.000 1.756 492 C CB -1.508 25.998 27.740 -0.390 0.000 2.050 492 C HN 0.599 nan 8.230 nan 0.000 0.460 493 L N 1.235 122.313 121.223 -0.243 0.000 2.013 493 L HA -0.106 4.235 4.340 0.002 0.000 0.212 493 L C 2.857 179.607 176.870 -0.200 0.000 1.073 493 L CA 2.765 57.507 54.840 -0.163 0.000 0.753 493 L CB -1.034 40.974 42.059 -0.086 0.000 0.890 493 L HN 0.546 nan 8.230 nan 0.000 0.432 494 S N -0.871 114.725 115.700 -0.174 0.000 2.356 494 S HA -0.223 4.248 4.470 0.002 0.000 0.223 494 S C 1.964 176.439 174.600 -0.207 0.000 1.032 494 S CA 1.797 59.908 58.200 -0.149 0.000 1.005 494 S CB -0.434 62.759 63.200 -0.012 0.000 0.867 494 S HN 0.621 nan 8.310 nan 0.000 0.449 495 N N 0.607 119.187 118.700 -0.201 0.000 2.300 495 N HA 0.113 4.854 4.740 0.002 0.000 0.179 495 N C 1.672 177.116 175.510 -0.110 0.000 1.016 495 N CA 0.919 53.899 53.050 -0.117 0.000 0.876 495 N CB -0.129 38.323 38.487 -0.058 0.000 0.979 495 N HN 0.445 nan 8.380 nan 0.000 0.432 496 K N -0.170 120.133 120.400 -0.161 0.000 2.228 496 K HA 0.105 4.426 4.320 0.002 0.000 0.202 496 K C 1.917 178.458 176.600 -0.098 0.000 1.051 496 K CA 0.559 56.790 56.287 -0.093 0.000 0.960 496 K CB 0.180 32.627 32.500 -0.089 0.000 0.743 496 K HN 0.094 nan 8.250 nan 0.000 0.458 497 R N -0.392 119.971 120.500 -0.228 0.000 2.075 497 R HA -0.028 4.313 4.340 0.002 0.000 0.226 497 R C 1.462 177.681 176.300 -0.135 0.000 1.114 497 R CA 1.091 57.026 56.100 -0.274 0.000 0.972 497 R CB 0.129 30.089 30.300 -0.566 0.000 0.869 497 R HN 0.335 nan 8.270 nan 0.000 0.437 498 H N -0.965 118.139 119.070 0.056 0.000 3.058 498 H HA 0.283 4.840 4.556 0.002 0.000 0.258 498 H C 0.086 175.274 175.328 -0.233 0.000 1.015 498 H CA -0.127 55.895 56.048 -0.042 0.000 1.210 498 H CB 0.537 30.265 29.762 -0.056 0.000 1.481 498 H HN 0.021 nan 8.280 nan 0.000 0.492 499 R N 0.539 121.021 120.500 -0.031 0.000 3.416 499 R HA -0.104 4.237 4.340 0.002 0.000 0.263 499 R C -2.540 173.703 176.300 -0.095 0.000 1.053 499 R CA 0.260 56.328 56.100 -0.053 0.000 0.705 499 R CB -1.854 28.427 30.300 -0.032 0.000 1.124 499 R HN 0.365 nan 8.270 nan 0.000 0.444 500 P HA 0.129 nan 4.420 nan 0.000 0.276 500 P C 0.420 177.703 177.300 -0.029 0.000 1.230 500 P CA 0.157 63.221 63.100 -0.061 0.000 0.776 500 P CB 0.701 32.383 31.700 -0.030 0.000 0.888 501 I N -0.296 120.262 120.570 -0.021 0.000 2.982 501 I HA 0.883 5.054 4.170 0.002 0.000 0.312 501 I C -0.180 175.942 176.117 0.010 0.000 1.041 501 I CA -1.335 59.964 61.300 -0.002 0.000 1.053 501 I CB 2.319 40.322 38.000 0.004 0.000 1.248 501 I HN 0.329 nan 8.210 nan 0.000 0.471 502 G N 4.484 113.293 108.800 0.015 0.000 2.990 502 G HA2 0.585 4.546 3.960 0.002 0.000 0.300 502 G HA3 0.585 4.546 3.960 0.002 0.000 0.300 502 G C -0.811 174.110 174.900 0.035 0.000 1.498 502 G CA -0.406 44.710 45.100 0.026 0.000 1.074 502 G HN 0.529 nan 8.290 nan 0.000 0.542 503 I N 2.191 122.787 120.570 0.044 0.000 2.365 503 I HA 0.595 4.766 4.170 0.002 0.000 0.291 503 I C 0.983 177.143 176.117 0.072 0.000 1.004 503 I CA -0.319 61.004 61.300 0.037 0.000 1.311 503 I CB 1.827 39.837 38.000 0.017 0.000 1.401 503 I HN 0.454 nan 8.210 nan 0.000 0.491 504 G N 4.836 113.679 108.800 0.071 0.000 3.176 504 G HA2 0.788 4.749 3.960 0.002 0.000 0.272 504 G HA3 0.788 4.749 3.960 0.002 0.000 0.272 504 G C -0.990 173.969 174.900 0.099 0.000 1.349 504 G CA -0.470 44.694 45.100 0.108 0.000 0.953 504 G HN 0.586 nan 8.290 nan 0.000 0.559 505 V N -2.309 117.678 119.914 0.122 0.000 3.188 505 V HA 0.901 5.023 4.120 0.002 0.000 0.305 505 V C -1.151 175.007 176.094 0.106 0.000 1.232 505 V CA -0.749 61.609 62.300 0.097 0.000 1.043 505 V CB 1.481 33.349 31.823 0.075 0.000 1.068 505 V HN 1.218 nan 8.190 nan 0.000 0.439 506 Q N 1.195 121.051 119.800 0.092 0.000 2.501 506 Q HA 0.742 5.083 4.340 0.002 0.000 0.288 506 Q C 0.414 176.459 176.000 0.075 0.000 1.051 506 Q CA -0.588 55.267 55.803 0.088 0.000 0.788 506 Q CB 1.842 30.628 28.738 0.081 0.000 1.469 506 Q HN 2.509 nan 8.270 nan 0.000 0.416 507 G N 0.219 109.061 108.800 0.070 0.000 2.143 507 G HA2 -0.301 3.660 3.960 0.002 0.000 0.249 507 G HA3 -0.301 3.660 3.960 0.002 0.000 0.249 507 G C 0.296 175.188 174.900 -0.012 0.000 0.981 507 G CA 0.408 45.542 45.100 0.056 0.000 0.665 507 G HN 0.613 nan 8.290 nan 0.000 0.528 508 L N 0.869 122.064 121.223 -0.048 0.000 1.978 508 L HA 0.111 4.452 4.340 0.002 0.000 0.218 508 L C 3.103 179.711 176.870 -0.437 0.000 1.075 508 L CA 3.492 58.178 54.840 -0.257 0.000 0.767 508 L CB -0.845 41.128 42.059 -0.142 0.000 0.890 508 L HN 0.798 nan 8.230 nan 0.000 0.434 509 A N -0.719 122.057 122.820 -0.073 0.000 1.917 509 A HA -0.297 4.024 4.320 0.002 0.000 0.219 509 A C 1.882 179.473 177.584 0.011 0.000 1.182 509 A CA 2.258 54.359 52.037 0.107 0.000 0.633 509 A CB -1.148 18.029 19.000 0.294 0.000 0.819 509 A HN 0.635 nan 8.150 nan 0.000 0.448 510 D N 0.032 120.444 120.400 0.020 0.000 2.219 510 D HA 0.073 4.714 4.640 0.002 0.000 0.205 510 D C 2.021 178.238 176.300 -0.138 0.000 0.970 510 D CA 1.244 55.230 54.000 -0.024 0.000 0.851 510 D CB -0.234 40.628 40.800 0.103 0.000 0.943 510 D HN 0.483 nan 8.370 nan 0.000 0.488 511 A N 0.296 123.043 122.820 -0.121 0.000 1.897 511 A HA -0.091 4.230 4.320 0.002 0.000 0.215 511 A C 1.695 179.274 177.584 -0.007 0.000 1.181 511 A CA 0.715 52.722 52.037 -0.050 0.000 0.620 511 A CB -0.735 18.282 19.000 0.027 0.000 0.821 511 A HN 0.088 nan 8.150 nan 0.000 0.443 512 F N 0.131 120.037 119.950 -0.073 0.000 2.095 512 F HA -0.125 4.403 4.527 0.002 0.000 0.298 512 F C 2.158 177.823 175.800 -0.226 0.000 1.104 512 F CA 0.644 58.579 58.000 -0.107 0.000 1.232 512 F CB -1.131 37.829 39.000 -0.068 0.000 0.987 512 F HN 0.106 nan 8.300 nan 0.000 0.475 513 I N -0.821 119.698 120.570 -0.084 0.000 2.226 513 I HA -0.284 3.887 4.170 0.002 0.000 0.245 513 I C 2.331 178.223 176.117 -0.376 0.000 1.100 513 I CA 0.652 61.762 61.300 -0.315 0.000 1.374 513 I CB -0.466 37.277 38.000 -0.429 0.000 1.057 513 I HN 0.019 nan 8.210 nan 0.000 0.413 514 L N -0.108 120.885 121.223 -0.382 0.000 2.081 514 L HA -0.200 4.141 4.340 0.002 0.000 0.212 514 L C 2.213 178.794 176.870 -0.481 0.000 1.080 514 L CA 1.925 56.531 54.840 -0.390 0.000 0.754 514 L CB -0.689 41.196 42.059 -0.290 0.000 0.893 514 L HN 0.284 nan 8.230 nan 0.000 0.433 515 M N -0.846 118.480 119.600 -0.458 0.000 2.561 515 M HA 0.078 4.559 4.480 0.002 0.000 0.238 515 M C 0.170 175.989 176.300 -0.802 0.000 1.131 515 M CA 0.154 55.044 55.300 -0.684 0.000 1.046 515 M CB -0.020 32.108 32.600 -0.788 0.000 1.532 515 M HN 0.162 nan 8.290 nan 0.000 0.497 516 R N -1.133 119.051 120.500 -0.525 0.000 3.774 516 R HA -0.175 4.166 4.340 0.002 0.000 0.320 516 R C -1.527 174.713 176.300 -0.100 0.000 1.175 516 R CA 0.528 56.442 56.100 -0.311 0.000 0.849 516 R CB -3.396 26.756 30.300 -0.246 0.000 1.365 516 R HN 0.275 nan 8.270 nan 0.000 0.502 517 Y N 0.921 121.133 120.300 -0.147 0.000 2.335 517 Y HA 0.457 5.008 4.550 0.002 0.000 0.339 517 Y C -1.628 174.167 175.900 -0.176 0.000 0.987 517 Y CA -3.573 54.428 58.100 -0.166 0.000 1.140 517 Y CB 0.779 39.105 38.460 -0.223 0.000 1.173 517 Y HN -0.142 nan 8.280 nan 0.000 0.486 518 P HA -0.008 nan 4.420 nan 0.000 0.269 518 P C 0.952 178.226 177.300 -0.042 0.000 1.215 518 P CA 0.029 63.122 63.100 -0.012 0.000 0.780 518 P CB 0.655 32.352 31.700 -0.005 0.000 0.898 519 F N 2.077 121.992 119.950 -0.059 0.000 2.115 519 F HA -0.241 4.287 4.527 0.002 0.000 0.300 519 F C 1.693 177.403 175.800 -0.150 0.000 1.092 519 F CA 1.914 59.890 58.000 -0.040 0.000 1.245 519 F CB -0.119 38.954 39.000 0.122 0.000 0.995 519 F HN 0.423 nan 8.300 nan 0.000 0.481 520 E N -0.395 119.880 120.200 0.125 0.000 2.478 520 E HA 0.017 4.368 4.350 0.002 0.000 0.194 520 E C 0.882 177.439 176.600 -0.071 0.000 1.045 520 E CA 0.360 56.791 56.400 0.052 0.000 0.868 520 E CB -0.093 29.662 29.700 0.091 0.000 0.885 520 E HN 0.333 nan 8.360 nan 0.000 0.505 521 S N 0.197 115.814 115.700 -0.138 0.000 2.576 521 S HA 0.187 4.658 4.470 0.002 0.000 0.272 521 S C 1.305 175.757 174.600 -0.246 0.000 1.352 521 S CA -0.086 58.006 58.200 -0.180 0.000 1.021 521 S CB 1.592 64.662 63.200 -0.216 0.000 0.887 521 S HN 0.151 nan 8.310 nan 0.000 0.542 522 A N 1.422 124.113 122.820 -0.214 0.000 2.015 522 A HA -0.013 4.309 4.320 0.002 0.000 0.219 522 A C 1.990 179.385 177.584 -0.315 0.000 1.163 522 A CA 1.470 53.380 52.037 -0.212 0.000 0.646 522 A CB -0.951 17.958 19.000 -0.151 0.000 0.806 522 A HN 0.918 nan 8.150 nan 0.000 0.448 523 E N 0.142 120.064 120.200 -0.463 0.000 2.077 523 E HA -0.053 4.298 4.350 0.002 0.000 0.193 523 E C 2.227 178.364 176.600 -0.772 0.000 0.989 523 E CA 1.328 57.254 56.400 -0.792 0.000 0.800 523 E CB -0.388 28.443 29.700 -1.448 0.000 0.746 523 E HN 0.590 nan 8.360 nan 0.000 0.452 524 A N 0.699 123.101 122.820 -0.696 0.000 1.933 524 A HA -0.252 4.069 4.320 0.002 0.000 0.218 524 A C 2.035 179.240 177.584 -0.631 0.000 1.175 524 A CA 1.453 52.966 52.037 -0.873 0.000 0.628 524 A CB -0.403 17.826 19.000 -1.286 0.000 0.814 524 A HN 0.200 nan 8.150 nan 0.000 0.444 525 Q N -1.219 118.335 119.800 -0.409 0.000 2.119 525 Q HA -0.117 4.224 4.340 0.002 0.000 0.201 525 Q C 2.079 177.993 176.000 -0.143 0.000 0.972 525 Q CA 1.375 57.040 55.803 -0.230 0.000 0.847 525 Q CB -0.262 28.377 28.738 -0.165 0.000 0.903 525 Q HN 0.617 nan 8.270 nan 0.000 0.433 526 L N 0.443 121.570 121.223 -0.160 0.000 2.044 526 L HA -0.137 4.204 4.340 0.002 0.000 0.205 526 L C 2.057 178.908 176.870 -0.032 0.000 1.075 526 L CA 1.227 56.008 54.840 -0.098 0.000 0.747 526 L CB -0.589 41.403 42.059 -0.111 0.000 0.903 526 L HN 0.196 nan 8.230 nan 0.000 0.435 527 L N 0.397 121.620 121.223 -0.000 0.000 2.012 527 L HA -0.269 4.073 4.340 0.002 0.000 0.210 527 L C 2.315 179.274 176.870 0.148 0.000 1.073 527 L CA 2.154 57.076 54.840 0.136 0.000 0.748 527 L CB -1.370 40.835 42.059 0.243 0.000 0.891 527 L HN 0.513 nan 8.230 nan 0.000 0.431 528 N N -0.125 118.693 118.700 0.197 0.000 2.073 528 N HA -0.289 4.452 4.740 0.002 0.000 0.199 528 N C 1.854 177.494 175.510 0.216 0.000 1.023 528 N CA 2.344 55.549 53.050 0.258 0.000 0.880 528 N CB -0.150 38.434 38.487 0.162 0.000 1.052 528 N HN 0.432 nan 8.380 nan 0.000 0.449 529 K N -0.290 120.150 120.400 0.067 0.000 2.025 529 K HA -0.074 4.247 4.320 0.002 0.000 0.207 529 K C 2.161 178.702 176.600 -0.098 0.000 1.049 529 K CA 1.244 57.523 56.287 -0.015 0.000 0.933 529 K CB -0.146 32.312 32.500 -0.070 0.000 0.714 529 K HN 0.428 nan 8.250 nan 0.000 0.438 530 Q N 0.438 120.186 119.800 -0.086 0.000 2.172 530 Q HA -0.062 4.279 4.340 0.002 0.000 0.200 530 Q C 2.140 178.117 176.000 -0.037 0.000 0.964 530 Q CA 0.852 56.535 55.803 -0.200 0.000 0.855 530 Q CB -0.029 28.476 28.738 -0.388 0.000 0.918 530 Q HN 0.322 nan 8.270 nan 0.000 0.444 531 I N -0.169 120.450 120.570 0.081 0.000 2.179 531 I HA -0.274 3.897 4.170 0.002 0.000 0.242 531 I C 1.618 177.633 176.117 -0.171 0.000 1.088 531 I CA 1.442 62.709 61.300 -0.056 0.000 1.357 531 I CB -0.091 37.723 38.000 -0.310 0.000 1.051 531 I HN 0.120 nan 8.210 nan 0.000 0.409 532 F N 0.450 120.377 119.950 -0.039 0.000 2.456 532 F HA -0.068 4.460 4.527 0.002 0.000 0.298 532 F C 2.404 178.182 175.800 -0.037 0.000 1.104 532 F CA 0.758 58.750 58.000 -0.015 0.000 1.435 532 F CB -0.288 38.715 39.000 0.004 0.000 1.078 532 F HN 0.009 nan 8.300 nan 0.000 0.546 533 E N -0.052 120.061 120.200 -0.144 0.000 2.031 533 E HA -0.182 4.169 4.350 0.002 0.000 0.193 533 E C 2.140 178.809 176.600 0.116 0.000 0.994 533 E CA 1.979 58.244 56.400 -0.224 0.000 0.800 533 E CB -0.241 29.264 29.700 -0.325 0.000 0.752 533 E HN 0.239 nan 8.360 nan 0.000 0.447 534 T N 1.422 116.016 114.554 0.066 0.000 2.635 534 T HA -0.193 4.158 4.350 0.002 0.000 0.267 534 T C 1.927 176.560 174.700 -0.111 0.000 1.040 534 T CA 1.316 63.392 62.100 -0.040 0.000 1.156 534 T CB -0.306 68.791 68.868 0.382 0.000 0.863 534 T HN 0.145 nan 8.240 nan 0.000 0.430 535 I N -0.253 120.305 120.570 -0.020 0.000 2.335 535 I HA -0.210 3.961 4.170 0.002 0.000 0.251 535 I C 2.285 178.466 176.117 0.107 0.000 1.129 535 I CA 1.493 62.782 61.300 -0.018 0.000 1.402 535 I CB -0.383 37.583 38.000 -0.057 0.000 1.069 535 I HN 0.238 nan 8.210 nan 0.000 0.424 536 Y N 0.505 120.868 120.300 0.105 0.000 2.184 536 Y HA -0.276 4.275 4.550 0.002 0.000 0.290 536 Y C 2.541 178.542 175.900 0.169 0.000 1.129 536 Y CA 1.172 59.410 58.100 0.230 0.000 1.144 536 Y CB -0.873 37.880 38.460 0.488 0.000 0.995 536 Y HN 0.104 nan 8.280 nan 0.000 0.513 537 Y N 0.182 120.428 120.300 -0.090 0.000 2.114 537 Y HA -0.204 4.347 4.550 0.002 0.000 0.282 537 Y C 2.589 178.181 175.900 -0.514 0.000 1.165 537 Y CA 2.090 59.836 58.100 -0.590 0.000 1.148 537 Y CB -0.799 36.845 38.460 -1.359 0.000 0.972 537 Y HN 0.161 nan 8.280 nan 0.000 0.504 538 G N -0.495 108.148 108.800 -0.261 0.000 2.491 538 G HA2 -0.339 3.622 3.960 0.002 0.000 0.218 538 G HA3 -0.339 3.622 3.960 0.002 0.000 0.218 538 G C 1.796 176.595 174.900 -0.168 0.000 1.180 538 G CA 1.189 46.161 45.100 -0.214 0.000 0.774 538 G HN 0.598 nan 8.290 nan 0.000 0.562 539 A N 0.177 122.926 122.820 -0.118 0.000 1.933 539 A HA 0.156 4.477 4.320 0.002 0.000 0.218 539 A C 2.466 179.968 177.584 -0.135 0.000 1.175 539 A CA 1.246 53.231 52.037 -0.086 0.000 0.628 539 A CB -0.343 18.656 19.000 -0.002 0.000 0.814 539 A HN 0.366 nan 8.150 nan 0.000 0.444 540 L N -1.004 120.083 121.223 -0.227 0.000 2.027 540 L HA -0.170 4.171 4.340 0.002 0.000 0.206 540 L C 2.679 179.405 176.870 -0.239 0.000 1.074 540 L CA 1.773 56.457 54.840 -0.259 0.000 0.745 540 L CB -0.408 41.420 42.059 -0.385 0.000 0.898 540 L HN 0.601 nan 8.230 nan 0.000 0.433 541 E N 0.240 120.256 120.200 -0.307 0.000 2.110 541 E HA -0.255 4.096 4.350 0.002 0.000 0.193 541 E C 2.135 178.642 176.600 -0.154 0.000 0.988 541 E CA 1.196 57.448 56.400 -0.247 0.000 0.804 541 E CB 0.038 29.576 29.700 -0.270 0.000 0.745 541 E HN 0.468 nan 8.360 nan 0.000 0.458 542 A N 0.387 123.124 122.820 -0.137 0.000 1.873 542 A HA -0.157 4.164 4.320 0.002 0.000 0.215 542 A C 2.352 179.882 177.584 -0.090 0.000 1.186 542 A CA 1.730 53.706 52.037 -0.101 0.000 0.616 542 A CB -0.820 18.126 19.000 -0.089 0.000 0.823 542 A HN 0.318 nan 8.150 nan 0.000 0.442 543 S N -1.578 114.069 115.700 -0.089 0.000 2.423 543 S HA -0.168 4.303 4.470 0.002 0.000 0.231 543 S C 1.957 176.510 174.600 -0.078 0.000 1.014 543 S CA 1.276 59.435 58.200 -0.068 0.000 0.965 543 S CB -0.824 62.344 63.200 -0.053 0.000 0.785 543 S HN 0.710 nan 8.310 nan 0.000 0.495 544 C N 1.278 120.521 119.300 -0.094 0.000 2.489 544 C HA -0.030 4.432 4.460 0.002 0.000 0.279 544 C C 2.220 177.145 174.990 -0.107 0.000 1.266 544 C CA 1.227 60.196 59.018 -0.081 0.000 1.707 544 C CB -1.472 26.227 27.740 -0.068 0.000 2.059 544 C HN 0.583 nan 8.230 nan 0.000 0.481 545 D N 0.923 121.250 120.400 -0.122 0.000 2.133 545 D HA -0.137 4.504 4.640 0.002 0.000 0.195 545 D C 2.041 178.260 176.300 -0.136 0.000 0.997 545 D CA 1.319 55.228 54.000 -0.152 0.000 0.840 545 D CB -0.604 40.125 40.800 -0.118 0.000 0.947 545 D HN 0.499 nan 8.370 nan 0.000 0.452 546 L N 0.447 121.614 121.223 -0.093 0.000 2.079 546 L HA -0.177 4.164 4.340 0.002 0.000 0.210 546 L C 2.445 179.273 176.870 -0.070 0.000 1.081 546 L CA 1.272 56.071 54.840 -0.067 0.000 0.752 546 L CB -0.396 41.639 42.059 -0.040 0.000 0.896 546 L HN 0.009 nan 8.230 nan 0.000 0.433 547 A N -0.538 122.234 122.820 -0.079 0.000 1.969 547 A HA -0.216 4.106 4.320 0.002 0.000 0.218 547 A C 2.404 179.943 177.584 -0.076 0.000 1.169 547 A CA 1.539 53.533 52.037 -0.071 0.000 0.635 547 A CB -0.383 18.560 19.000 -0.096 0.000 0.810 547 A HN 0.285 nan 8.150 nan 0.000 0.445 548 K N -0.154 120.134 120.400 -0.186 0.000 2.026 548 K HA -0.196 4.125 4.320 0.002 0.000 0.208 548 K C 1.904 178.386 176.600 -0.197 0.000 1.048 548 K CA 1.835 57.896 56.287 -0.376 0.000 0.929 548 K CB -0.150 31.904 32.500 -0.744 0.000 0.713 548 K HN 0.668 nan 8.250 nan 0.000 0.439 549 E N -0.200 119.912 120.200 -0.146 0.000 2.046 549 E HA -0.172 4.179 4.350 0.002 0.000 0.190 549 E C 1.878 178.451 176.600 -0.045 0.000 0.982 549 E CA 1.139 57.487 56.400 -0.087 0.000 0.800 549 E CB 0.150 29.807 29.700 -0.072 0.000 0.756 549 E HN 0.347 nan 8.360 nan 0.000 0.449 550 Q N -0.967 118.812 119.800 -0.034 0.000 2.245 550 Q HA 0.222 4.564 4.340 0.002 0.000 0.236 550 Q C -0.095 175.905 176.000 -0.000 0.000 0.842 550 Q CA 0.179 55.976 55.803 -0.010 0.000 0.945 550 Q CB 2.024 30.760 28.738 -0.003 0.000 1.122 550 Q HN 0.223 nan 8.270 nan 0.000 0.506 551 G N 2.097 110.894 108.800 -0.005 0.000 2.675 551 G HA2 -0.133 3.828 3.960 0.002 0.000 0.686 551 G HA3 -0.133 3.828 3.960 0.002 0.000 0.686 551 G C -3.044 171.844 174.900 -0.020 0.000 1.215 551 G CA -1.182 43.919 45.100 0.001 0.000 0.777 551 G HN -0.103 nan 8.290 nan 0.000 0.638 552 P HA 0.411 nan 4.420 nan 0.000 0.274 552 P C 0.150 177.425 177.300 -0.041 0.000 1.260 552 P CA -0.372 62.636 63.100 -0.155 0.000 0.793 552 P CB 0.142 31.645 31.700 -0.327 0.000 1.048 553 Y N -1.478 118.812 120.300 -0.017 0.000 2.357 553 Y HA 0.187 4.738 4.550 0.002 0.000 0.340 553 Y C 1.965 177.936 175.900 0.119 0.000 1.260 553 Y CA -0.589 57.545 58.100 0.056 0.000 1.425 553 Y CB -0.116 38.389 38.460 0.076 0.000 1.326 553 Y HN 0.456 nan 8.280 nan 0.000 0.580 554 E N 1.079 121.406 120.200 0.213 0.000 2.086 554 E HA -0.237 4.114 4.350 0.002 0.000 0.200 554 E C 1.317 177.975 176.600 0.096 0.000 1.012 554 E CA 2.700 59.174 56.400 0.124 0.000 0.812 554 E CB -0.399 29.375 29.700 0.123 0.000 0.743 554 E HN 0.866 nan 8.360 nan 0.000 0.453 555 T N -2.172 112.510 114.554 0.214 0.000 3.214 555 T HA 0.075 4.426 4.350 0.002 0.000 0.264 555 T C 1.009 175.709 174.700 0.001 0.000 1.012 555 T CA -0.114 62.087 62.100 0.170 0.000 0.901 555 T CB -0.295 68.782 68.868 0.348 0.000 1.070 555 T HN 0.315 nan 8.240 nan 0.000 0.561 556 Y N 2.387 122.336 120.300 -0.584 0.000 2.242 556 Y HA 0.157 4.708 4.550 0.002 0.000 0.291 556 Y C 0.786 176.507 175.900 -0.299 0.000 1.137 556 Y CA 0.627 58.209 58.100 -0.864 0.000 1.181 556 Y CB -0.118 37.620 38.460 -1.203 0.000 0.989 556 Y HN 0.133 nan 8.280 nan 0.000 0.527 557 E N 0.778 120.728 120.200 -0.417 0.000 2.366 557 E HA 0.234 4.585 4.350 0.002 0.000 0.266 557 E C 1.184 177.615 176.600 -0.282 0.000 1.015 557 E CA 0.884 57.042 56.400 -0.403 0.000 0.906 557 E CB 0.327 29.918 29.700 -0.182 0.000 0.979 557 E HN 0.597 nan 8.360 nan 0.000 0.443 558 G N 2.846 111.476 108.800 -0.283 0.000 2.217 558 G HA2 -0.319 3.642 3.960 0.002 0.000 0.246 558 G HA3 -0.319 3.642 3.960 0.002 0.000 0.246 558 G C 0.507 175.312 174.900 -0.159 0.000 0.990 558 G CA 0.441 45.438 45.100 -0.172 0.000 0.627 558 G HN 0.701 nan 8.290 nan 0.000 0.522 559 S N 0.747 116.313 115.700 -0.223 0.000 2.593 559 S HA 0.563 5.034 4.470 0.002 0.000 0.269 559 S C -0.665 173.869 174.600 -0.111 0.000 1.334 559 S CA -0.285 57.845 58.200 -0.117 0.000 1.015 559 S CB 2.001 65.188 63.200 -0.022 0.000 0.912 559 S HN 0.010 nan 8.310 nan 0.000 0.541 560 P HA -0.076 nan 4.420 nan 0.000 0.216 560 P C 1.588 178.878 177.300 -0.016 0.000 1.150 560 P CA 0.680 63.764 63.100 -0.028 0.000 0.837 560 P CB -0.188 31.506 31.700 -0.010 0.000 0.786 561 V N 0.519 120.459 119.914 0.044 0.000 2.490 561 V HA -0.226 3.896 4.120 0.002 0.000 0.250 561 V C 2.427 178.570 176.094 0.082 0.000 1.061 561 V CA 2.440 64.812 62.300 0.120 0.000 1.064 561 V CB -1.643 30.348 31.823 0.280 0.000 0.670 561 V HN 0.298 nan 8.190 nan 0.000 0.461 562 S N -0.483 115.128 115.700 -0.150 0.000 2.555 562 S HA -0.061 4.410 4.470 0.002 0.000 0.230 562 S C 1.450 175.967 174.600 -0.139 0.000 0.978 562 S CA 0.654 58.666 58.200 -0.312 0.000 0.934 562 S CB -0.294 62.393 63.200 -0.855 0.000 0.766 562 S HN 0.678 nan 8.310 nan 0.000 0.533 563 K N 0.588 120.933 120.400 -0.090 0.000 2.440 563 K HA 0.343 4.664 4.320 0.002 0.000 0.206 563 K C 0.965 177.549 176.600 -0.027 0.000 1.025 563 K CA 0.242 56.495 56.287 -0.058 0.000 1.135 563 K CB 0.309 32.774 32.500 -0.058 0.000 0.856 563 K HN 0.444 nan 8.250 nan 0.000 0.502 564 G N 2.006 110.802 108.800 -0.007 0.000 2.148 564 G HA2 -0.258 3.703 3.960 0.002 0.000 0.254 564 G HA3 -0.258 3.703 3.960 0.002 0.000 0.254 564 G C 0.059 174.944 174.900 -0.024 0.000 0.981 564 G CA -0.139 44.964 45.100 0.005 0.000 0.670 564 G HN 0.315 nan 8.290 nan 0.000 0.528 565 I N 1.414 121.961 120.570 -0.039 0.000 2.306 565 I HA 0.418 4.589 4.170 0.002 0.000 0.288 565 I C 0.899 176.952 176.117 -0.106 0.000 1.036 565 I CA -0.690 60.559 61.300 -0.085 0.000 1.221 565 I CB 0.763 38.726 38.000 -0.062 0.000 1.385 565 I HN -0.028 nan 8.210 nan 0.000 0.472 566 L N 4.428 125.505 121.223 -0.243 0.000 2.472 566 L HA 0.257 4.598 4.340 0.002 0.000 0.256 566 L C 1.491 178.197 176.870 -0.274 0.000 1.111 566 L CA -0.455 54.249 54.840 -0.227 0.000 0.800 566 L CB 0.681 42.529 42.059 -0.352 0.000 1.286 566 L HN 0.472 nan 8.230 nan 0.000 0.479 567 Q N 0.547 120.301 119.800 -0.077 0.000 2.045 567 Q HA -0.254 4.087 4.340 0.002 0.000 0.206 567 Q C 1.833 177.744 176.000 -0.148 0.000 0.991 567 Q CA 2.574 58.315 55.803 -0.104 0.000 0.851 567 Q CB -0.523 28.071 28.738 -0.241 0.000 0.911 567 Q HN 0.608 nan 8.270 nan 0.000 0.418 568 Y N -0.726 119.350 120.300 -0.373 0.000 2.256 568 Y HA -0.110 4.442 4.550 0.002 0.000 0.288 568 Y C 1.578 177.372 175.900 -0.176 0.000 1.155 568 Y CA 1.332 59.131 58.100 -0.502 0.000 1.203 568 Y CB -0.845 37.071 38.460 -0.906 0.000 0.980 568 Y HN 0.079 nan 8.280 nan 0.000 0.530 569 D N 1.065 121.254 120.400 -0.352 0.000 2.123 569 D HA -0.186 4.455 4.640 0.002 0.000 0.196 569 D C 1.964 178.241 176.300 -0.039 0.000 0.992 569 D CA 2.018 55.929 54.000 -0.147 0.000 0.833 569 D CB -0.328 40.341 40.800 -0.219 0.000 0.954 569 D HN 0.535 nan 8.370 nan 0.000 0.455 570 M N -1.051 118.531 119.600 -0.030 0.000 2.460 570 M HA -0.110 4.372 4.480 0.002 0.000 0.263 570 M C 1.063 177.340 176.300 -0.038 0.000 1.071 570 M CA 0.936 56.217 55.300 -0.032 0.000 1.096 570 M CB -0.100 32.463 32.600 -0.061 0.000 1.408 570 M HN 0.084 nan 8.290 nan 0.000 0.463 571 W N 0.348 121.556 121.300 -0.153 0.000 3.220 571 W HA 0.235 4.896 4.660 0.002 0.000 0.328 571 W C 0.226 176.681 176.519 -0.106 0.000 1.205 571 W CA -0.556 56.706 57.345 -0.138 0.000 1.773 571 W CB -0.414 28.943 29.460 -0.171 0.000 1.086 571 W HN 0.245 nan 8.180 nan 0.000 0.622 572 N N 0.234 118.999 118.700 0.109 0.000 2.725 572 N HA -0.158 4.583 4.740 0.002 0.000 0.251 572 N C -0.859 174.692 175.510 0.069 0.000 1.031 572 N CA 0.835 53.923 53.050 0.063 0.000 0.720 572 N CB -1.779 36.724 38.487 0.027 0.000 0.930 572 N HN -0.015 nan 8.380 nan 0.000 0.543 573 V N 0.185 120.145 119.914 0.077 0.000 2.581 573 V HA 0.469 4.590 4.120 0.002 0.000 0.303 573 V C 0.697 176.811 176.094 0.034 0.000 1.041 573 V CA -0.545 61.771 62.300 0.026 0.000 0.907 573 V CB 2.192 33.973 31.823 -0.069 0.000 0.994 573 V HN 0.291 nan 8.190 nan 0.000 0.442 574 T N 6.067 120.625 114.554 0.006 0.000 2.767 574 T HA 0.539 4.891 4.350 0.002 0.000 0.284 574 T C -2.430 172.228 174.700 -0.070 0.000 0.973 574 T CA -1.516 60.572 62.100 -0.020 0.000 0.996 574 T CB 1.293 70.169 68.868 0.014 0.000 0.927 574 T HN 0.478 nan 8.240 nan 0.000 0.456 575 P HA 0.201 nan 4.420 nan 0.000 0.270 575 P C 0.222 177.518 177.300 -0.005 0.000 1.223 575 P CA -0.392 62.636 63.100 -0.120 0.000 0.785 575 P CB 0.259 31.689 31.700 -0.449 0.000 0.923 576 T N -2.099 112.457 114.554 0.003 0.000 2.667 576 T HA 0.049 4.400 4.350 0.002 0.000 0.305 576 T C 0.653 175.372 174.700 0.030 0.000 1.022 576 T CA -0.170 61.922 62.100 -0.014 0.000 0.995 576 T CB 0.136 68.957 68.868 -0.078 0.000 1.026 576 T HN 0.250 nan 8.240 nan 0.000 0.527 577 D N -0.142 120.245 120.400 -0.022 0.000 2.349 577 D HA 0.053 4.694 4.640 0.002 0.000 0.224 577 D C 1.741 177.971 176.300 -0.116 0.000 1.029 577 D CA 0.010 53.996 54.000 -0.024 0.000 0.879 577 D CB -0.145 40.633 40.800 -0.038 0.000 0.906 577 D HN 0.393 nan 8.370 nan 0.000 0.528 578 L N -0.725 120.378 121.223 -0.201 0.000 2.043 578 L HA -0.073 4.268 4.340 0.002 0.000 0.212 578 L C 0.021 176.461 176.870 -0.716 0.000 1.075 578 L CA 1.563 56.113 54.840 -0.482 0.000 0.752 578 L CB 0.017 41.698 42.059 -0.629 0.000 0.891 578 L HN -0.038 nan 8.230 nan 0.000 0.432 579 W N -1.313 119.783 121.300 -0.340 0.000 2.781 579 W HA 0.308 4.969 4.660 0.002 0.000 0.345 579 W C -0.292 175.935 176.519 -0.487 0.000 1.085 579 W CA -0.874 56.074 57.345 -0.661 0.000 1.198 579 W CB 0.678 29.390 29.460 -1.248 0.000 1.423 579 W HN -0.279 nan 8.180 nan 0.000 0.532 580 D N 1.492 121.803 120.400 -0.149 0.000 2.483 580 D HA 0.075 4.716 4.640 0.002 0.000 0.220 580 D C 0.252 176.712 176.300 0.267 0.000 1.173 580 D CA -0.216 53.832 54.000 0.080 0.000 0.964 580 D CB 0.190 41.049 40.800 0.099 0.000 1.046 580 D HN 0.368 nan 8.370 nan 0.000 0.517 581 W N 2.777 124.317 121.300 0.401 0.000 2.467 581 W HA 0.012 4.673 4.660 0.002 0.000 0.275 581 W C 2.233 178.902 176.519 0.250 0.000 1.239 581 W CA 0.053 57.637 57.345 0.399 0.000 1.266 581 W CB 0.090 29.770 29.460 0.367 0.000 1.112 581 W HN 0.305 nan 8.180 nan 0.000 0.576 582 K N 0.182 120.816 120.400 0.390 0.000 2.009 582 K HA -0.200 4.121 4.320 0.002 0.000 0.210 582 K C 1.843 178.554 176.600 0.186 0.000 1.049 582 K CA 1.999 58.436 56.287 0.250 0.000 0.929 582 K CB -0.853 31.758 32.500 0.184 0.000 0.714 582 K HN -0.044 nan 8.250 nan 0.000 0.440 583 V N 1.507 121.525 119.914 0.173 0.000 2.332 583 V HA -0.248 3.873 4.120 0.002 0.000 0.248 583 V C 2.175 178.321 176.094 0.086 0.000 1.055 583 V CA 1.579 63.953 62.300 0.124 0.000 1.038 583 V CB -0.402 31.503 31.823 0.136 0.000 0.651 583 V HN 0.304 nan 8.190 nan 0.000 0.450 584 L N 0.066 121.327 121.223 0.063 0.000 2.083 584 L HA -0.136 4.205 4.340 0.002 0.000 0.209 584 L C 2.302 179.169 176.870 -0.004 0.000 1.083 584 L CA 1.924 56.703 54.840 -0.101 0.000 0.752 584 L CB -0.780 41.002 42.059 -0.462 0.000 0.899 584 L HN 0.214 nan 8.230 nan 0.000 0.433 585 K N -0.464 119.993 120.400 0.095 0.000 2.148 585 K HA -0.131 4.190 4.320 0.002 0.000 0.204 585 K C 1.825 178.463 176.600 0.063 0.000 1.050 585 K CA 1.411 57.755 56.287 0.096 0.000 0.942 585 K CB -0.038 32.546 32.500 0.139 0.000 0.724 585 K HN 0.542 nan 8.250 nan 0.000 0.446 586 E N 1.076 121.312 120.200 0.061 0.000 2.031 586 E HA -0.205 4.146 4.350 0.002 0.000 0.193 586 E C 1.870 178.481 176.600 0.017 0.000 0.994 586 E CA 1.215 57.636 56.400 0.035 0.000 0.800 586 E CB -0.078 29.646 29.700 0.040 0.000 0.752 586 E HN 0.232 nan 8.360 nan 0.000 0.447 587 K N 0.609 121.033 120.400 0.039 0.000 2.063 587 K HA -0.133 4.188 4.320 0.002 0.000 0.208 587 K C 2.223 178.868 176.600 0.076 0.000 1.048 587 K CA 1.233 57.569 56.287 0.081 0.000 0.928 587 K CB -0.172 32.378 32.500 0.082 0.000 0.713 587 K HN 0.142 nan 8.250 nan 0.000 0.442 588 I N 0.868 121.463 120.570 0.042 0.000 2.286 588 I HA -0.200 3.971 4.170 0.002 0.000 0.245 588 I C 2.464 178.615 176.117 0.057 0.000 1.104 588 I CA 0.788 62.118 61.300 0.049 0.000 1.397 588 I CB -0.362 37.665 38.000 0.045 0.000 1.072 588 I HN 0.110 nan 8.210 nan 0.000 0.417 589 A N 0.473 123.316 122.820 0.037 0.000 2.032 589 A HA -0.270 4.051 4.320 0.002 0.000 0.221 589 A C 2.363 179.924 177.584 -0.038 0.000 1.165 589 A CA 1.875 53.924 52.037 0.020 0.000 0.645 589 A CB -0.470 18.536 19.000 0.008 0.000 0.807 589 A HN 0.369 nan 8.150 nan 0.000 0.453 590 K N -2.441 117.883 120.400 -0.127 0.000 2.099 590 K HA 0.010 4.331 4.320 0.002 0.000 0.203 590 K C 0.915 177.259 176.600 -0.427 0.000 1.047 590 K CA 1.090 57.167 56.287 -0.350 0.000 0.963 590 K CB 0.027 32.167 32.500 -0.600 0.000 0.759 590 K HN 0.547 nan 8.250 nan 0.000 0.451 591 Y N -0.368 119.925 120.300 -0.012 0.000 2.453 591 Y HA 0.267 4.818 4.550 0.002 0.000 0.247 591 Y C 0.998 176.838 175.900 -0.101 0.000 1.124 591 Y CA 0.056 58.131 58.100 -0.043 0.000 1.243 591 Y CB 0.740 39.167 38.460 -0.055 0.000 1.213 591 Y HN 0.266 nan 8.280 nan 0.000 0.523 592 G N 1.636 110.448 108.800 0.020 0.000 2.578 592 G HA2 -0.305 3.657 3.960 0.002 0.000 0.275 592 G HA3 -0.305 3.657 3.960 0.002 0.000 0.275 592 G C -0.793 173.906 174.900 -0.335 0.000 1.271 592 G CA 0.172 45.120 45.100 -0.254 0.000 0.941 592 G HN 0.130 nan 8.290 nan 0.000 0.564 593 I N -1.222 118.942 120.570 -0.678 0.000 2.722 593 I HA 0.650 4.821 4.170 0.002 0.000 0.295 593 I C 0.810 176.839 176.117 -0.146 0.000 1.161 593 I CA -0.767 60.357 61.300 -0.294 0.000 1.032 593 I CB 2.182 40.100 38.000 -0.137 0.000 1.244 593 I HN 0.602 nan 8.210 nan 0.000 0.421 594 R N 2.817 123.314 120.500 -0.005 0.000 2.161 594 R HA 0.253 4.594 4.340 0.002 0.000 0.213 594 R C -0.511 175.886 176.300 0.161 0.000 1.055 594 R CA 0.941 57.094 56.100 0.088 0.000 0.996 594 R CB -0.109 30.201 30.300 0.017 0.000 0.901 594 R HN 0.663 nan 8.270 nan 0.000 0.456 595 N N -1.236 117.499 118.700 0.059 0.000 2.296 595 N HA 0.102 4.843 4.740 0.002 0.000 0.294 595 N C -0.093 175.232 175.510 -0.308 0.000 1.033 595 N CA -0.046 52.921 53.050 -0.140 0.000 0.839 595 N CB 2.168 40.614 38.487 -0.067 0.000 1.395 595 N HN 0.005 nan 8.380 nan 0.000 0.479 596 S N 1.495 116.734 115.700 -0.767 0.000 2.453 596 S HA 0.104 4.575 4.470 0.002 0.000 0.231 596 S C 0.360 174.869 174.600 -0.150 0.000 1.005 596 S CA 0.513 58.337 58.200 -0.626 0.000 0.949 596 S CB -0.198 62.542 63.200 -0.767 0.000 0.774 596 S HN 0.437 nan 8.310 nan 0.000 0.510 597 L N -0.038 121.118 121.223 -0.112 0.000 2.434 597 L HA 0.527 4.868 4.340 0.002 0.000 0.260 597 L C 0.032 176.913 176.870 0.017 0.000 0.983 597 L CA -0.640 54.199 54.840 -0.003 0.000 0.820 597 L CB 2.153 44.210 42.059 -0.003 0.000 1.361 597 L HN 0.030 nan 8.230 nan 0.000 0.410 598 L N 1.616 122.888 121.223 0.082 0.000 2.600 598 L HA 0.380 4.721 4.340 0.002 0.000 0.213 598 L C -0.128 176.801 176.870 0.099 0.000 1.045 598 L CA 0.225 55.117 54.840 0.087 0.000 0.863 598 L CB 0.777 42.908 42.059 0.120 0.000 1.189 598 L HN 0.357 nan 8.230 nan 0.000 0.484 599 I N 0.493 121.142 120.570 0.131 0.000 2.509 599 I HA 0.593 4.764 4.170 0.002 0.000 0.293 599 I C -0.401 175.776 176.117 0.100 0.000 1.020 599 I CA -0.532 60.849 61.300 0.135 0.000 1.088 599 I CB 1.638 39.755 38.000 0.196 0.000 1.267 599 I HN -0.041 nan 8.210 nan 0.000 0.430 600 A N 6.971 129.850 122.820 0.097 0.000 2.664 600 A HA 0.563 4.884 4.320 0.002 0.000 0.300 600 A C -2.854 174.772 177.584 0.071 0.000 1.210 600 A CA -0.820 51.257 52.037 0.068 0.000 0.863 600 A CB 0.476 19.500 19.000 0.039 0.000 1.464 600 A HN 0.392 nan 8.150 nan 0.000 0.438 601 P HA 0.169 nan 4.420 nan 0.000 0.264 601 P C 0.420 177.750 177.300 0.051 0.000 1.229 601 P CA 0.348 63.511 63.100 0.104 0.000 0.780 601 P CB 0.398 32.174 31.700 0.126 0.000 0.808 602 M N 5.430 125.058 119.600 0.047 0.000 2.369 602 M HA 0.474 4.955 4.480 0.002 0.000 0.291 602 M C -2.084 174.241 176.300 0.041 0.000 1.178 602 M CA -2.485 52.824 55.300 0.014 0.000 0.996 602 M CB -0.401 32.208 32.600 0.016 0.000 1.472 602 M HN -0.079 nan 8.290 nan 0.000 0.496 603 P HA -0.049 nan 4.420 nan 0.000 0.219 603 P C 0.270 177.622 177.300 0.087 0.000 1.150 603 P CA 2.721 65.878 63.100 0.095 0.000 0.814 603 P CB -0.304 31.482 31.700 0.144 0.000 0.787 604 T N -4.162 110.435 114.554 0.071 0.000 3.996 604 T HA -0.293 4.058 4.350 0.002 0.000 0.348 604 T C 1.054 175.792 174.700 0.063 0.000 0.757 604 T CA 0.577 62.716 62.100 0.064 0.000 1.898 604 T CB -2.286 66.622 68.868 0.067 0.000 1.861 604 T HN 0.280 nan 8.240 nan 0.000 0.821 605 A N 0.933 123.793 122.820 0.066 0.000 1.908 605 A HA 0.051 4.372 4.320 0.002 0.000 0.218 605 A C 2.628 180.246 177.584 0.057 0.000 1.181 605 A CA 2.289 54.360 52.037 0.058 0.000 0.627 605 A CB -0.851 18.181 19.000 0.053 0.000 0.818 605 A HN 0.977 nan 8.150 nan 0.000 0.445 606 S N -0.555 115.187 115.700 0.069 0.000 2.356 606 S HA -0.096 4.376 4.470 0.002 0.000 0.219 606 S C 2.213 176.819 174.600 0.011 0.000 1.036 606 S CA 1.536 59.782 58.200 0.076 0.000 0.965 606 S CB -0.888 62.413 63.200 0.168 0.000 0.864 606 S HN 0.858 nan 8.310 nan 0.000 0.471 607 T N 1.541 116.091 114.554 -0.006 0.000 2.833 607 T HA 0.049 4.400 4.350 0.002 0.000 0.269 607 T C 1.915 176.609 174.700 -0.011 0.000 1.054 607 T CA 1.092 63.160 62.100 -0.052 0.000 1.135 607 T CB -0.572 68.277 68.868 -0.032 0.000 0.869 607 T HN 0.331 nan 8.240 nan 0.000 0.466 608 A N 1.627 124.461 122.820 0.024 0.000 1.877 608 A HA -0.142 4.179 4.320 0.002 0.000 0.216 608 A C 2.482 180.097 177.584 0.050 0.000 1.186 608 A CA 1.871 53.934 52.037 0.043 0.000 0.620 608 A CB -1.061 17.974 19.000 0.057 0.000 0.822 608 A HN 0.672 nan 8.150 nan 0.000 0.443 609 Q N -0.295 119.534 119.800 0.048 0.000 2.112 609 Q HA -0.196 4.145 4.340 0.002 0.000 0.206 609 Q C 1.927 177.971 176.000 0.072 0.000 0.987 609 Q CA 2.044 57.888 55.803 0.069 0.000 0.858 609 Q CB -0.310 28.461 28.738 0.056 0.000 0.905 609 Q HN 0.700 nan 8.270 nan 0.000 0.420 610 I N 0.379 120.955 120.570 0.009 0.000 2.179 610 I HA -0.284 3.887 4.170 0.002 0.000 0.242 610 I C 1.986 178.174 176.117 0.118 0.000 1.088 610 I CA 0.999 62.292 61.300 -0.011 0.000 1.357 610 I CB -0.095 37.795 38.000 -0.184 0.000 1.051 610 I HN 0.284 nan 8.210 nan 0.000 0.409 611 L N 0.406 121.675 121.223 0.076 0.000 2.554 611 L HA 0.142 4.483 4.340 0.002 0.000 0.226 611 L C 1.284 178.181 176.870 0.045 0.000 1.137 611 L CA 0.467 55.347 54.840 0.068 0.000 0.863 611 L CB -0.635 41.433 42.059 0.016 0.000 0.985 611 L HN 0.537 nan 8.230 nan 0.000 0.451 612 G N 1.107 109.951 108.800 0.073 0.000 2.246 612 G HA2 -0.247 3.714 3.960 0.002 0.000 0.273 612 G HA3 -0.247 3.714 3.960 0.002 0.000 0.273 612 G C -0.175 174.760 174.900 0.058 0.000 1.055 612 G CA -0.019 45.121 45.100 0.066 0.000 0.851 612 G HN 0.401 nan 8.290 nan 0.000 0.500 613 N N -0.552 118.190 118.700 0.070 0.000 2.328 613 N HA 0.397 5.138 4.740 0.002 0.000 0.299 613 N C -0.029 175.542 175.510 0.102 0.000 1.179 613 N CA -0.872 52.232 53.050 0.089 0.000 0.793 613 N CB 1.047 39.575 38.487 0.070 0.000 1.366 613 N HN 0.277 nan 8.380 nan 0.000 0.493 614 N N 0.163 118.942 118.700 0.131 0.000 2.416 614 N HA -0.041 4.700 4.740 0.002 0.000 0.246 614 N C -0.615 174.952 175.510 0.095 0.000 1.260 614 N CA 0.217 53.340 53.050 0.122 0.000 0.897 614 N CB 0.578 39.168 38.487 0.172 0.000 1.110 614 N HN 0.309 nan 8.380 nan 0.000 0.439 615 E N 1.568 121.815 120.200 0.078 0.000 2.366 615 E HA 0.025 4.376 4.350 0.002 0.000 0.266 615 E C 0.631 177.288 176.600 0.095 0.000 1.015 615 E CA 0.126 56.574 56.400 0.079 0.000 0.906 615 E CB 0.643 30.386 29.700 0.071 0.000 0.979 615 E HN 0.750 nan 8.360 nan 0.000 0.443 616 S N 3.127 118.886 115.700 0.099 0.000 4.054 616 S HA -0.321 4.150 4.470 0.002 0.000 0.618 616 S C 0.674 175.355 174.600 0.136 0.000 2.026 616 S CA 1.369 59.639 58.200 0.116 0.000 4.205 616 S CB -0.813 62.456 63.200 0.115 0.000 0.233 616 S HN 0.542 nan 8.310 nan 0.000 0.612 617 I N 3.323 123.986 120.570 0.155 0.000 3.928 617 I HA 0.353 4.524 4.170 0.002 0.000 0.335 617 I C 0.321 176.574 176.117 0.228 0.000 1.325 617 I CA 0.087 61.501 61.300 0.190 0.000 1.107 617 I CB -0.032 38.066 38.000 0.164 0.000 1.014 617 I HN 0.380 nan 8.210 nan 0.000 0.400 618 E N 2.098 122.393 120.200 0.158 0.000 2.366 618 E HA 0.214 4.565 4.350 0.002 0.000 0.266 618 E C -2.170 174.443 176.600 0.020 0.000 1.051 618 E CA -1.795 54.648 56.400 0.073 0.000 0.884 618 E CB -0.114 29.601 29.700 0.025 0.000 1.006 618 E HN 0.029 nan 8.360 nan 0.000 0.417 619 P HA -0.084 nan 4.420 nan 0.000 0.271 619 P C -0.355 176.845 177.300 -0.166 0.000 1.244 619 P CA -0.142 62.629 63.100 -0.549 0.000 0.793 619 P CB 0.164 31.248 31.700 -1.028 0.000 0.984 620 Y N 1.039 121.242 120.300 -0.162 0.000 2.802 620 Y HA -0.087 4.464 4.550 0.002 0.000 0.333 620 Y C 1.711 177.526 175.900 -0.141 0.000 1.244 620 Y CA 1.009 59.077 58.100 -0.053 0.000 1.558 620 Y CB -0.266 38.227 38.460 0.054 0.000 1.233 620 Y HN 0.392 nan 8.280 nan 0.000 0.547 621 T N 0.203 114.556 114.554 -0.336 0.000 2.976 621 T HA 0.183 4.534 4.350 0.002 0.000 0.257 621 T C 0.557 175.099 174.700 -0.264 0.000 1.051 621 T CA 0.599 62.508 62.100 -0.319 0.000 1.141 621 T CB -0.025 68.727 68.868 -0.195 0.000 0.881 621 T HN 0.457 nan 8.240 nan 0.000 0.461 622 S N -0.838 114.578 115.700 -0.473 0.000 2.595 622 S HA 0.334 4.805 4.470 0.002 0.000 0.270 622 S C -0.645 173.626 174.600 -0.549 0.000 1.145 622 S CA -0.795 57.212 58.200 -0.323 0.000 0.825 622 S CB 0.979 64.126 63.200 -0.089 0.000 1.107 622 S HN 0.185 nan 8.310 nan 0.000 0.461 623 N N 0.536 119.141 118.700 -0.159 0.000 2.422 623 N HA 0.173 4.914 4.740 0.002 0.000 0.181 623 N C -0.348 175.181 175.510 0.032 0.000 1.080 623 N CA 0.760 53.834 53.050 0.040 0.000 0.893 623 N CB 0.111 38.705 38.487 0.178 0.000 0.973 623 N HN 0.431 nan 8.380 nan 0.000 0.456 624 I N -0.507 120.066 120.570 0.004 0.000 2.530 624 I HA 0.318 4.489 4.170 0.002 0.000 0.297 624 I C 0.294 176.420 176.117 0.015 0.000 1.011 624 I CA -0.921 60.398 61.300 0.033 0.000 1.107 624 I CB 0.995 39.023 38.000 0.047 0.000 1.285 624 I HN -0.075 nan 8.210 nan 0.000 0.436 636 I N 2.869 123.550 120.570 0.185 0.000 2.382 636 I HA 0.461 4.632 4.170 0.002 0.000 0.286 636 I C 0.377 176.551 176.117 0.095 0.000 1.002 636 I CA -1.135 60.251 61.300 0.143 0.000 1.135 636 I CB 1.662 39.781 38.000 0.199 0.000 1.288 636 I HN 0.524 nan 8.210 nan 0.000 0.448 637 V N 6.722 126.666 119.914 0.050 0.000 2.655 637 V HA -0.023 4.098 4.120 0.002 0.000 0.300 637 V C 1.119 177.187 176.094 -0.043 0.000 1.044 637 V CA -0.273 62.032 62.300 0.008 0.000 1.095 637 V CB 0.774 32.574 31.823 -0.039 0.000 0.952 637 V HN 0.767 nan 8.190 nan 0.000 0.485 638 N N 6.259 124.958 118.700 -0.001 0.000 2.217 638 N HA -0.051 4.690 4.740 0.002 0.000 0.268 638 N C -1.612 173.832 175.510 -0.110 0.000 1.290 638 N CA -0.836 52.228 53.050 0.023 0.000 0.831 638 N CB 1.276 39.897 38.487 0.223 0.000 1.057 638 N HN 0.352 nan 8.380 nan 0.000 0.481 639 P HA -0.161 nan 4.420 nan 0.000 0.217 639 P C 0.690 177.825 177.300 -0.274 0.000 1.148 639 P CA 1.423 64.355 63.100 -0.281 0.000 0.834 639 P CB 0.061 31.534 31.700 -0.377 0.000 0.783 640 H N -1.709 117.355 119.070 -0.010 0.000 2.384 640 H HA 0.038 4.596 4.556 0.002 0.000 0.300 640 H C 1.943 177.234 175.328 -0.062 0.000 1.057 640 H CA 0.666 56.730 56.048 0.026 0.000 1.370 640 H CB -1.006 28.851 29.762 0.158 0.000 1.417 640 H HN 0.038 nan 8.280 nan 0.000 0.527 641 L N 0.983 122.089 121.223 -0.195 0.000 1.994 641 L HA -0.132 4.209 4.340 0.002 0.000 0.208 641 L C 2.429 179.094 176.870 -0.341 0.000 1.071 641 L CA 1.086 55.611 54.840 -0.525 0.000 0.745 641 L CB -0.998 40.645 42.059 -0.692 0.000 0.892 641 L HN 0.099 nan 8.230 nan 0.000 0.431 642 L N 0.181 121.152 121.223 -0.420 0.000 1.976 642 L HA -0.324 4.017 4.340 0.002 0.000 0.223 642 L C 2.655 179.280 176.870 -0.408 0.000 1.081 642 L CA 2.648 57.103 54.840 -0.641 0.000 0.784 642 L CB -0.940 40.763 42.059 -0.594 0.000 0.896 642 L HN 0.447 nan 8.230 nan 0.000 0.438 643 K N -1.079 119.183 120.400 -0.230 0.000 2.032 643 K HA -0.217 4.104 4.320 0.002 0.000 0.209 643 K C 1.832 178.397 176.600 -0.059 0.000 1.048 643 K CA 1.964 58.179 56.287 -0.119 0.000 0.927 643 K CB -0.282 32.194 32.500 -0.039 0.000 0.712 643 K HN 0.405 nan 8.250 nan 0.000 0.441 644 D N 0.662 121.051 120.400 -0.017 0.000 2.149 644 D HA -0.150 4.492 4.640 0.002 0.000 0.198 644 D C 1.943 178.260 176.300 0.029 0.000 0.990 644 D CA 1.057 55.080 54.000 0.039 0.000 0.839 644 D CB -0.043 40.827 40.800 0.117 0.000 0.948 644 D HN 0.257 nan 8.370 nan 0.000 0.460 645 L N 0.503 121.723 121.223 -0.006 0.000 2.023 645 L HA -0.116 4.225 4.340 0.002 0.000 0.205 645 L C 2.757 179.687 176.870 0.099 0.000 1.073 645 L CA 1.553 56.437 54.840 0.073 0.000 0.745 645 L CB -1.097 41.049 42.059 0.146 0.000 0.900 645 L HN 0.126 nan 8.230 nan 0.000 0.435 646 T N -2.190 112.388 114.554 0.040 0.000 2.653 646 T HA -0.281 4.070 4.350 0.002 0.000 0.268 646 T C 1.593 176.327 174.700 0.057 0.000 1.035 646 T CA 1.753 63.897 62.100 0.072 0.000 1.154 646 T CB -0.551 68.296 68.868 -0.034 0.000 0.862 646 T HN 0.378 nan 8.240 nan 0.000 0.441 647 E N 1.014 121.231 120.200 0.027 0.000 2.118 647 E HA -0.108 4.243 4.350 0.002 0.000 0.195 647 E C 2.511 179.135 176.600 0.041 0.000 0.992 647 E CA 1.017 57.434 56.400 0.029 0.000 0.804 647 E CB -0.170 29.544 29.700 0.024 0.000 0.741 647 E HN 0.562 nan 8.360 nan 0.000 0.458 648 R N -0.661 119.871 120.500 0.053 0.000 2.297 648 R HA 0.050 4.391 4.340 0.002 0.000 0.197 648 R C 1.056 177.392 176.300 0.061 0.000 0.943 648 R CA 0.537 56.670 56.100 0.055 0.000 1.038 648 R CB 0.502 30.839 30.300 0.062 0.000 0.957 648 R HN 0.240 nan 8.270 nan 0.000 0.484 649 G N 0.699 109.545 108.800 0.076 0.000 2.142 649 G HA2 -0.220 3.741 3.960 0.002 0.000 0.225 649 G HA3 -0.220 3.741 3.960 0.002 0.000 0.225 649 G C 0.340 175.294 174.900 0.090 0.000 1.015 649 G CA -0.127 45.020 45.100 0.079 0.000 0.716 649 G HN 0.280 nan 8.290 nan 0.000 0.508 650 L N -1.122 120.177 121.223 0.126 0.000 2.766 650 L HA 0.344 4.685 4.340 0.002 0.000 0.242 650 L C 1.745 178.718 176.870 0.172 0.000 1.136 650 L CA -0.714 54.197 54.840 0.119 0.000 0.933 650 L CB 0.091 42.216 42.059 0.110 0.000 1.241 650 L HN 0.469 nan 8.230 nan 0.000 0.522 654 E N 0.561 120.569 120.200 -0.320 0.000 2.118 654 E HA -0.075 4.276 4.350 0.002 0.000 0.195 654 E C 2.152 178.640 176.600 -0.188 0.000 0.992 654 E CA 1.965 58.247 56.400 -0.197 0.000 0.804 654 E CB -0.834 28.776 29.700 -0.149 0.000 0.741 654 E HN 0.624 nan 8.360 nan 0.000 0.458 655 M N -0.361 119.065 119.600 -0.289 0.000 2.152 655 M HA -0.361 4.120 4.480 0.002 0.000 0.251 655 M C 2.454 178.732 176.300 -0.037 0.000 1.080 655 M CA 2.851 58.039 55.300 -0.185 0.000 1.079 655 M CB -0.197 32.216 32.600 -0.311 0.000 1.317 655 M HN 0.428 nan 8.290 nan 0.000 0.404 656 K N 0.063 120.446 120.400 -0.029 0.000 2.032 656 K HA -0.269 4.052 4.320 0.002 0.000 0.218 656 K C 1.487 178.121 176.600 0.055 0.000 1.054 656 K CA 2.337 58.692 56.287 0.112 0.000 0.941 656 K CB -0.219 32.353 32.500 0.121 0.000 0.720 656 K HN 0.451 nan 8.250 nan 0.000 0.449 657 N N -0.007 118.697 118.700 0.007 0.000 2.149 657 N HA -0.207 4.534 4.740 0.002 0.000 0.188 657 N C 2.205 177.720 175.510 0.008 0.000 1.019 657 N CA 1.952 55.005 53.050 0.004 0.000 0.857 657 N CB -0.634 37.844 38.487 -0.015 0.000 0.997 657 N HN 0.518 nan 8.380 nan 0.000 0.426 658 Q N 1.204 121.006 119.800 0.003 0.000 2.123 658 Q HA 0.080 4.421 4.340 0.002 0.000 0.199 658 Q C 2.265 178.283 176.000 0.030 0.000 0.966 658 Q CA 0.929 56.737 55.803 0.010 0.000 0.845 658 Q CB -0.854 27.884 28.738 0.000 0.000 0.907 658 Q HN 0.452 nan 8.270 nan 0.000 0.439 659 I N 0.237 120.837 120.570 0.050 0.000 2.179 659 I HA -0.229 3.942 4.170 0.002 0.000 0.242 659 I C 2.493 178.642 176.117 0.054 0.000 1.088 659 I CA 1.315 62.655 61.300 0.068 0.000 1.357 659 I CB -0.322 37.738 38.000 0.100 0.000 1.051 659 I HN 0.331 nan 8.210 nan 0.000 0.409 660 I N 1.050 121.648 120.570 0.048 0.000 2.208 660 I HA -0.309 3.862 4.170 0.002 0.000 0.245 660 I C 2.634 178.761 176.117 0.018 0.000 1.097 660 I CA 1.554 62.874 61.300 0.033 0.000 1.363 660 I CB -0.499 37.520 38.000 0.031 0.000 1.051 660 I HN 0.225 nan 8.210 nan 0.000 0.413 661 A N -0.635 122.194 122.820 0.015 0.000 2.167 661 A HA -0.092 4.229 4.320 0.002 0.000 0.214 661 A C 1.844 179.431 177.584 0.004 0.000 1.151 661 A CA 0.680 52.719 52.037 0.005 0.000 0.735 661 A CB -0.629 18.372 19.000 0.002 0.000 0.802 661 A HN 0.590 nan 8.150 nan 0.000 0.467 662 C N 0.391 119.700 119.300 0.016 0.000 2.589 662 C HA 0.311 4.772 4.460 0.002 0.000 0.307 662 C C 0.307 175.307 174.990 0.017 0.000 1.328 662 C CA -0.685 58.343 59.018 0.017 0.000 1.742 662 C CB -1.719 26.041 27.740 0.034 0.000 2.037 662 C HN 0.664 nan 8.230 nan 0.000 0.592 663 N N 0.873 119.578 118.700 0.008 0.000 2.780 663 N HA -0.162 4.580 4.740 0.002 0.000 0.247 663 N C 1.021 176.549 175.510 0.030 0.000 1.076 663 N CA 1.344 54.391 53.050 -0.005 0.000 0.688 663 N CB -1.422 37.033 38.487 -0.053 0.000 0.957 663 N HN 0.926 nan 8.380 nan 0.000 0.551 664 G N -1.544 107.283 108.800 0.046 0.000 2.212 664 G HA2 -0.332 3.629 3.960 0.002 0.000 0.266 664 G HA3 -0.332 3.629 3.960 0.002 0.000 0.266 664 G C 0.154 175.113 174.900 0.098 0.000 0.978 664 G CA 0.863 46.001 45.100 0.063 0.000 0.632 664 G HN 0.921 nan 8.290 nan 0.000 0.537 665 S N -0.191 115.570 115.700 0.102 0.000 2.610 665 S HA 0.623 5.094 4.470 0.002 0.000 0.273 665 S C 1.495 176.167 174.600 0.120 0.000 1.274 665 S CA -0.028 58.248 58.200 0.127 0.000 1.023 665 S CB 0.697 63.964 63.200 0.112 0.000 0.962 665 S HN 1.040 nan 8.310 nan 0.000 0.523 666 I N 1.320 121.975 120.570 0.142 0.000 4.082 666 I HA 0.325 4.497 4.170 0.002 0.000 0.337 666 I C 1.276 177.458 176.117 0.110 0.000 1.352 666 I CA -0.298 61.075 61.300 0.123 0.000 1.097 666 I CB 0.125 38.205 38.000 0.133 0.000 1.048 666 I HN 0.386 nan 8.210 nan 0.000 0.393 667 Q N 1.997 121.862 119.800 0.108 0.000 2.364 667 Q HA -0.034 4.307 4.340 0.002 0.000 0.207 667 Q C 1.792 177.835 176.000 0.071 0.000 0.970 667 Q CA 1.572 57.431 55.803 0.093 0.000 0.888 667 Q CB -0.122 28.671 28.738 0.092 0.000 0.951 667 Q HN 0.768 nan 8.270 nan 0.000 0.469 668 S N -1.120 114.618 115.700 0.063 0.000 2.650 668 S HA 0.221 4.692 4.470 0.002 0.000 0.240 668 S C 0.511 175.136 174.600 0.043 0.000 1.007 668 S CA -0.516 57.712 58.200 0.047 0.000 0.984 668 S CB 0.343 63.566 63.200 0.038 0.000 0.910 668 S HN 0.007 nan 8.310 nan 0.000 0.509 669 I N 3.399 124.000 120.570 0.051 0.000 2.379 669 I HA 0.297 4.468 4.170 0.002 0.000 0.290 669 I C -1.662 174.480 176.117 0.041 0.000 1.063 669 I CA -2.202 59.124 61.300 0.044 0.000 1.351 669 I CB 0.538 38.571 38.000 0.055 0.000 1.410 669 I HN 0.001 nan 8.210 nan 0.000 0.505 670 P HA -0.150 nan 4.420 nan 0.000 0.215 670 P C 1.048 178.367 177.300 0.030 0.000 1.153 670 P CA 1.326 64.442 63.100 0.027 0.000 0.853 670 P CB 0.418 32.127 31.700 0.016 0.000 0.788 671 E N -1.003 119.214 120.200 0.029 0.000 2.274 671 E HA 0.003 4.354 4.350 0.002 0.000 0.194 671 E C 0.618 177.249 176.600 0.051 0.000 0.996 671 E CA 0.358 56.777 56.400 0.032 0.000 0.840 671 E CB -0.418 29.294 29.700 0.021 0.000 0.772 671 E HN 0.298 nan 8.360 nan 0.000 0.491 672 I N 3.006 123.613 120.570 0.062 0.000 2.342 672 I HA 0.162 4.333 4.170 0.002 0.000 0.291 672 I C -2.047 174.115 176.117 0.075 0.000 1.010 672 I CA -2.509 58.839 61.300 0.079 0.000 1.308 672 I CB 0.937 38.994 38.000 0.094 0.000 1.400 672 I HN -0.119 nan 8.210 nan 0.000 0.488 673 P HA 0.051 nan 4.420 nan 0.000 0.270 673 P C -0.209 177.136 177.300 0.074 0.000 1.223 673 P CA -0.158 62.982 63.100 0.067 0.000 0.785 673 P CB 0.907 32.645 31.700 0.064 0.000 0.923 674 D N 0.133 120.570 120.400 0.061 0.000 2.144 674 D HA -0.171 4.470 4.640 0.002 0.000 0.199 674 D C 1.423 177.760 176.300 0.062 0.000 0.984 674 D CA 0.978 55.014 54.000 0.060 0.000 0.834 674 D CB -0.556 40.272 40.800 0.047 0.000 0.955 674 D HN 0.491 nan 8.370 nan 0.000 0.465 675 D N 0.984 121.419 120.400 0.057 0.000 2.984 675 D HA -0.241 4.400 4.640 0.002 0.000 0.266 675 D C 2.018 178.363 176.300 0.076 0.000 1.083 675 D CA 1.407 55.442 54.000 0.058 0.000 0.985 675 D CB -0.471 40.366 40.800 0.061 0.000 1.137 675 D HN 0.196 nan 8.370 nan 0.000 0.495 676 L N -0.105 121.188 121.223 0.118 0.000 2.291 676 L HA -0.069 4.272 4.340 0.002 0.000 0.214 676 L C 2.640 179.659 176.870 0.247 0.000 1.120 676 L CA 0.577 55.543 54.840 0.210 0.000 0.799 676 L CB -0.223 41.979 42.059 0.239 0.000 0.925 676 L HN 0.070 nan 8.230 nan 0.000 0.446 677 K N -0.184 120.314 120.400 0.162 0.000 2.025 677 K HA -0.144 4.177 4.320 0.002 0.000 0.207 677 K C 2.170 178.847 176.600 0.129 0.000 1.049 677 K CA 0.989 57.368 56.287 0.155 0.000 0.933 677 K CB -0.111 32.457 32.500 0.113 0.000 0.714 677 K HN 0.266 nan 8.250 nan 0.000 0.438 678 Q N 0.646 120.495 119.800 0.083 0.000 2.135 678 Q HA -0.179 4.162 4.340 0.002 0.000 0.204 678 Q C 2.172 178.179 176.000 0.012 0.000 0.981 678 Q CA 1.083 56.916 55.803 0.051 0.000 0.856 678 Q CB -0.224 28.533 28.738 0.032 0.000 0.902 678 Q HN 0.203 nan 8.270 nan 0.000 0.425 679 L N -0.903 120.292 121.223 -0.046 0.000 2.179 679 L HA -0.095 4.246 4.340 0.002 0.000 0.208 679 L C 0.862 177.473 176.870 -0.431 0.000 1.096 679 L CA 1.555 56.235 54.840 -0.266 0.000 0.779 679 L CB -0.132 41.668 42.059 -0.431 0.000 0.922 679 L HN 0.128 nan 8.230 nan 0.000 0.443 680 Y N -0.674 119.611 120.300 -0.026 0.000 2.720 680 Y HA 0.288 4.840 4.550 0.002 0.000 0.277 680 Y C 0.560 176.543 175.900 0.138 0.000 1.144 680 Y CA -0.805 57.265 58.100 -0.049 0.000 1.221 680 Y CB -0.153 38.294 38.460 -0.022 0.000 1.163 680 Y HN -0.105 nan 8.280 nan 0.000 0.537 681 K N 1.509 122.029 120.400 0.199 0.000 2.524 681 K HA 0.015 4.336 4.320 0.002 0.000 0.279 681 K C 0.969 177.718 176.600 0.248 0.000 0.993 681 K CA 0.464 56.866 56.287 0.192 0.000 1.030 681 K CB 0.468 33.039 32.500 0.118 0.000 0.891 681 K HN 0.288 nan 8.250 nan 0.000 0.488 682 T N -1.358 113.326 114.554 0.216 0.000 2.852 682 T HA 0.068 4.419 4.350 0.002 0.000 0.281 682 T C 1.251 175.902 174.700 -0.081 0.000 0.993 682 T CA -0.828 61.350 62.100 0.131 0.000 0.933 682 T CB 1.098 70.045 68.868 0.131 0.000 1.187 682 T HN 0.249 nan 8.240 nan 0.000 0.559 683 V N -0.211 119.489 119.914 -0.356 0.000 2.469 683 V HA -0.063 4.058 4.120 0.002 0.000 0.251 683 V C 1.821 177.598 176.094 -0.529 0.000 1.064 683 V CA 1.553 63.451 62.300 -0.670 0.000 1.066 683 V CB -0.888 30.191 31.823 -1.240 0.000 0.667 683 V HN 0.883 nan 8.190 nan 0.000 0.461 684 W N -0.173 121.082 121.300 -0.076 0.000 2.800 684 W HA 0.090 4.751 4.660 0.002 0.000 0.249 684 W C 1.971 178.492 176.519 0.003 0.000 1.294 684 W CA 0.329 57.667 57.345 -0.012 0.000 1.402 684 W CB 0.029 29.492 29.460 0.004 0.000 1.126 684 W HN 0.247 nan 8.180 nan 0.000 0.652 685 E N 0.105 120.403 120.200 0.163 0.000 2.499 685 E HA 0.210 4.561 4.350 0.002 0.000 0.199 685 E C -0.062 176.573 176.600 0.059 0.000 1.016 685 E CA -0.094 56.377 56.400 0.118 0.000 0.933 685 E CB 0.299 30.075 29.700 0.126 0.000 1.050 685 E HN 0.154 nan 8.360 nan 0.000 0.462 686 I N 0.755 121.329 120.570 0.006 0.000 2.433 686 I HA 0.118 4.289 4.170 0.002 0.000 0.292 686 I C 0.065 176.181 176.117 -0.002 0.000 1.001 686 I CA -0.802 60.486 61.300 -0.019 0.000 1.119 686 I CB 1.965 39.889 38.000 -0.126 0.000 1.289 686 I HN -0.091 nan 8.210 nan 0.000 0.438 687 S N 4.764 120.480 115.700 0.026 0.000 2.544 687 S HA 0.011 4.482 4.470 0.002 0.000 0.290 687 S C 1.048 175.665 174.600 0.030 0.000 1.276 687 S CA -0.220 57.996 58.200 0.026 0.000 1.075 687 S CB 0.628 63.841 63.200 0.021 0.000 0.849 687 S HN 0.545 nan 8.310 nan 0.000 0.494 688 Q N 4.352 124.168 119.800 0.027 0.000 2.230 688 Q HA -0.010 4.331 4.340 0.002 0.000 0.202 688 Q C 1.822 177.861 176.000 0.064 0.000 0.963 688 Q CA 1.187 57.019 55.803 0.049 0.000 0.866 688 Q CB -0.135 28.637 28.738 0.055 0.000 0.931 688 Q HN 0.743 nan 8.270 nan 0.000 0.452 689 K N 0.077 120.467 120.400 -0.017 0.000 2.026 689 K HA -0.077 4.244 4.320 0.002 0.000 0.208 689 K C 2.159 178.814 176.600 0.093 0.000 1.048 689 K CA 1.588 57.806 56.287 -0.115 0.000 0.929 689 K CB -0.204 32.045 32.500 -0.419 0.000 0.713 689 K HN 0.147 nan 8.250 nan 0.000 0.439 690 T N 1.656 116.257 114.554 0.078 0.000 2.684 690 T HA -0.128 4.223 4.350 0.002 0.000 0.267 690 T C 2.122 176.941 174.700 0.198 0.000 1.036 690 T CA 1.339 63.522 62.100 0.139 0.000 1.148 690 T CB -0.341 68.597 68.868 0.117 0.000 0.863 690 T HN -0.055 nan 8.240 nan 0.000 0.436 691 V N 1.491 121.522 119.914 0.196 0.000 2.282 691 V HA -0.201 3.920 4.120 0.002 0.000 0.249 691 V C 2.504 178.730 176.094 0.220 0.000 1.057 691 V CA 1.719 64.157 62.300 0.231 0.000 1.032 691 V CB -0.723 31.188 31.823 0.147 0.000 0.645 691 V HN 0.428 nan 8.190 nan 0.000 0.447 692 L N -0.524 120.839 121.223 0.233 0.000 2.017 692 L HA -0.231 4.110 4.340 0.002 0.000 0.208 692 L C 2.573 179.573 176.870 0.216 0.000 1.073 692 L CA 2.058 57.050 54.840 0.253 0.000 0.745 692 L CB -0.630 41.646 42.059 0.362 0.000 0.894 692 L HN 0.285 nan 8.230 nan 0.000 0.432 693 K N 0.090 120.657 120.400 0.278 0.000 2.044 693 K HA -0.230 4.091 4.320 0.002 0.000 0.210 693 K C 2.148 178.806 176.600 0.095 0.000 1.049 693 K CA 1.805 58.198 56.287 0.177 0.000 0.927 693 K CB -0.096 32.532 32.500 0.214 0.000 0.713 693 K HN 0.175 nan 8.250 nan 0.000 0.443 694 M N -0.332 119.336 119.600 0.112 0.000 2.229 694 M HA -0.100 4.382 4.480 0.002 0.000 0.264 694 M C 2.216 178.524 176.300 0.013 0.000 1.063 694 M CA 1.468 56.806 55.300 0.064 0.000 1.114 694 M CB -0.084 32.577 32.600 0.103 0.000 1.387 694 M HN 0.269 nan 8.290 nan 0.000 0.420 695 A N 0.388 123.237 122.820 0.047 0.000 1.930 695 A HA -0.012 4.309 4.320 0.002 0.000 0.217 695 A C 2.376 179.930 177.584 -0.050 0.000 1.175 695 A CA 1.765 53.797 52.037 -0.007 0.000 0.627 695 A CB -0.874 18.164 19.000 0.064 0.000 0.815 695 A HN 0.472 nan 8.150 nan 0.000 0.443 696 A N -0.299 122.526 122.820 0.008 0.000 1.902 696 A HA -0.171 4.150 4.320 0.002 0.000 0.217 696 A C 1.934 179.381 177.584 -0.228 0.000 1.181 696 A CA 1.799 53.839 52.037 0.005 0.000 0.623 696 A CB -0.484 18.571 19.000 0.092 0.000 0.818 696 A HN 0.604 nan 8.150 nan 0.000 0.443 697 E N -0.514 119.602 120.200 -0.140 0.000 2.072 697 E HA -0.200 4.151 4.350 0.002 0.000 0.191 697 E C 2.306 178.806 176.600 -0.167 0.000 0.985 697 E CA 1.400 57.714 56.400 -0.143 0.000 0.801 697 E CB -0.122 29.546 29.700 -0.053 0.000 0.750 697 E HN 0.778 nan 8.360 nan 0.000 0.452 698 R N -0.081 120.292 120.500 -0.212 0.000 2.115 698 R HA 0.015 4.356 4.340 0.002 0.000 0.226 698 R C 2.349 178.419 176.300 -0.383 0.000 1.100 698 R CA 1.235 57.159 56.100 -0.294 0.000 0.980 698 R CB -0.818 29.036 30.300 -0.743 0.000 0.875 698 R HN 0.099 nan 8.270 nan 0.000 0.445 699 G N 1.566 110.067 108.800 -0.499 0.000 2.597 699 G HA2 -0.393 3.568 3.960 0.002 0.000 0.222 699 G HA3 -0.393 3.568 3.960 0.002 0.000 0.222 699 G C 1.621 175.750 174.900 -1.285 0.000 1.135 699 G CA 1.226 45.899 45.100 -0.712 0.000 0.759 699 G HN 0.540 nan 8.290 nan 0.000 0.595 700 A N -0.642 121.246 122.820 -1.554 0.000 2.172 700 A HA 0.363 4.684 4.320 0.002 0.000 0.216 700 A C 1.341 178.073 177.584 -1.420 0.000 1.154 700 A CA 0.691 51.596 52.037 -1.886 0.000 0.701 700 A CB -0.227 17.957 19.000 -1.361 0.000 0.789 700 A HN 0.354 nan 8.150 nan 0.000 0.465 701 F N -1.010 118.590 119.950 -0.584 0.000 2.764 701 F HA 0.458 4.986 4.527 0.002 0.000 0.310 701 F C -0.174 175.303 175.800 -0.539 0.000 1.124 701 F CA -0.291 57.375 58.000 -0.557 0.000 1.252 701 F CB 0.467 39.351 39.000 -0.194 0.000 1.010 701 F HN -0.071 nan 8.300 nan 0.000 0.518 702 I N 1.191 121.561 120.570 -0.334 0.000 2.448 702 I HA 0.171 4.342 4.170 0.002 0.000 0.281 702 I C 0.077 176.146 176.117 -0.080 0.000 1.027 702 I CA -0.529 60.691 61.300 -0.134 0.000 1.111 702 I CB 1.367 39.322 38.000 -0.076 0.000 1.236 702 I HN -0.016 nan 8.210 nan 0.000 0.452 703 D N 3.768 124.154 120.400 -0.023 0.000 2.317 703 D HA -0.075 4.566 4.640 0.002 0.000 0.211 703 D C 0.736 177.070 176.300 0.058 0.000 0.966 703 D CA 0.927 54.955 54.000 0.045 0.000 0.876 703 D CB 0.307 41.188 40.800 0.135 0.000 0.927 703 D HN 0.491 nan 8.370 nan 0.000 0.519 704 Q N -0.174 119.659 119.800 0.055 0.000 3.042 704 Q HA 0.425 4.766 4.340 0.002 0.000 0.201 704 Q C 0.208 176.245 176.000 0.062 0.000 1.156 704 Q CA -0.614 55.219 55.803 0.050 0.000 0.440 704 Q CB 0.286 29.047 28.738 0.039 0.000 5.406 704 Q HN 0.127 nan 8.270 nan 0.000 0.316 705 S N -1.139 114.593 115.700 0.054 0.000 2.998 705 S HA 0.361 4.832 4.470 0.002 0.000 0.323 705 S C -1.943 172.677 174.600 0.033 0.000 1.141 705 S CA -0.667 57.571 58.200 0.063 0.000 0.873 705 S CB 1.477 64.721 63.200 0.074 0.000 1.315 705 S HN 0.467 nan 8.310 nan 0.000 0.637 706 Q N 0.460 120.277 119.800 0.029 0.000 2.289 706 Q HA 0.507 4.848 4.340 0.002 0.000 0.270 706 Q C -1.436 174.557 176.000 -0.013 0.000 1.038 706 Q CA -0.816 54.991 55.803 0.007 0.000 0.812 706 Q CB 1.426 30.165 28.738 0.002 0.000 1.300 706 Q HN 0.374 nan 8.270 nan 0.000 0.427 707 S N 2.538 118.202 115.700 -0.060 0.000 3.806 707 S HA 0.037 4.508 4.470 0.002 0.000 0.218 707 S C -0.153 174.494 174.600 0.079 0.000 1.146 707 S CA -0.259 57.859 58.200 -0.136 0.000 1.030 707 S CB -0.597 62.480 63.200 -0.205 0.000 1.617 707 S HN 0.452 nan 8.310 nan 0.000 0.487 708 L N 4.485 125.778 121.223 0.116 0.000 2.302 708 L HA 0.290 4.631 4.340 0.002 0.000 0.285 708 L C 0.007 177.004 176.870 0.211 0.000 1.090 708 L CA -0.209 54.730 54.840 0.164 0.000 0.866 708 L CB -0.252 41.894 42.059 0.145 0.000 1.244 708 L HN 0.286 nan 8.230 nan 0.000 0.435 709 N N 4.237 123.064 118.700 0.212 0.000 2.444 709 N HA 0.246 4.987 4.740 0.002 0.000 0.255 709 N C -0.609 174.953 175.510 0.086 0.000 1.255 709 N CA -0.076 53.041 53.050 0.113 0.000 0.933 709 N CB 1.235 39.726 38.487 0.007 0.000 1.143 709 N HN 0.322 nan 8.380 nan 0.000 0.453 710 I N 0.858 121.426 120.570 -0.004 0.000 2.498 710 I HA 0.151 4.322 4.170 0.002 0.000 0.290 710 I C -0.219 175.839 176.117 -0.097 0.000 1.032 710 I CA -0.428 60.890 61.300 0.029 0.000 1.073 710 I CB 1.220 39.255 38.000 0.058 0.000 1.251 710 I HN 0.287 nan 8.210 nan 0.000 0.426 711 H N 7.445 126.473 119.070 -0.070 0.000 2.595 711 H HA 0.562 5.119 4.556 0.002 0.000 0.313 711 H C -0.821 174.558 175.328 0.086 0.000 1.023 711 H CA -0.329 55.644 56.048 -0.124 0.000 1.218 711 H CB 1.497 30.883 29.762 -0.627 0.000 1.403 711 H HN 0.351 nan 8.280 nan 0.000 0.477 712 I N 2.095 122.866 120.570 0.337 0.000 2.439 712 I HA 0.174 4.345 4.170 0.002 0.000 0.285 712 I C 1.158 177.483 176.117 0.347 0.000 1.021 712 I CA -0.491 60.996 61.300 0.311 0.000 1.091 712 I CB 1.960 40.057 38.000 0.162 0.000 1.242 712 I HN 0.575 nan 8.210 nan 0.000 0.439 713 A N 5.033 128.052 122.820 0.332 0.000 1.883 713 A HA -0.081 4.240 4.320 0.002 0.000 0.217 713 A C 0.835 178.419 177.584 0.001 0.000 1.186 713 A CA 1.480 53.549 52.037 0.054 0.000 0.624 713 A CB -0.142 18.839 19.000 -0.032 0.000 0.822 713 A HN 0.773 nan 8.150 nan 0.000 0.444 714 E N 0.208 120.434 120.200 0.044 0.000 2.675 714 E HA 0.285 4.636 4.350 0.002 0.000 0.236 714 E C -2.812 173.819 176.600 0.051 0.000 1.059 714 E CA -2.065 54.349 56.400 0.023 0.000 0.775 714 E CB 1.462 31.168 29.700 0.011 0.000 1.356 714 E HN 0.347 nan 8.360 nan 0.000 0.403 715 P HA 0.075 nan 4.420 nan 0.000 0.272 715 P C -0.856 176.483 177.300 0.065 0.000 1.223 715 P CA -0.231 62.907 63.100 0.065 0.000 0.784 715 P CB 0.822 32.561 31.700 0.066 0.000 0.923 716 N N -0.556 118.190 118.700 0.077 0.000 2.902 716 N HA 0.147 4.888 4.740 0.002 0.000 0.268 716 N C 0.509 176.104 175.510 0.142 0.000 1.450 716 N CA -0.881 52.236 53.050 0.110 0.000 0.819 716 N CB 0.055 38.613 38.487 0.118 0.000 1.540 716 N HN 0.249 nan 8.380 nan 0.000 0.545 717 Y N -0.160 120.181 120.300 0.067 0.000 2.145 717 Y HA 0.108 4.659 4.550 0.002 0.000 0.286 717 Y C 2.091 178.092 175.900 0.170 0.000 1.145 717 Y CA 2.305 60.467 58.100 0.104 0.000 1.148 717 Y CB -0.668 37.866 38.460 0.123 0.000 0.981 717 Y HN 0.709 nan 8.280 nan 0.000 0.507 718 G N -0.081 108.849 108.800 0.216 0.000 2.418 718 G HA2 -0.269 3.692 3.960 0.002 0.000 0.217 718 G HA3 -0.269 3.692 3.960 0.002 0.000 0.217 718 G C 1.674 176.607 174.900 0.054 0.000 1.158 718 G CA 0.973 46.145 45.100 0.120 0.000 0.771 718 G HN 0.361 nan 8.290 nan 0.000 0.545 719 K N -0.544 119.894 120.400 0.063 0.000 2.001 719 K HA 0.089 4.410 4.320 0.002 0.000 0.208 719 K C 2.494 179.105 176.600 0.019 0.000 1.048 719 K CA 0.792 57.106 56.287 0.045 0.000 0.932 719 K CB -0.264 32.268 32.500 0.053 0.000 0.715 719 K HN 0.220 nan 8.250 nan 0.000 0.437 720 L N 0.266 121.487 121.223 -0.003 0.000 2.093 720 L HA -0.179 4.162 4.340 0.002 0.000 0.208 720 L C 2.297 179.176 176.870 0.015 0.000 1.085 720 L CA 1.475 56.273 54.840 -0.070 0.000 0.755 720 L CB -0.528 41.493 42.059 -0.063 0.000 0.904 720 L HN 0.225 nan 8.230 nan 0.000 0.435 721 T N -1.014 113.604 114.554 0.106 0.000 2.652 721 T HA -0.206 4.145 4.350 0.002 0.000 0.267 721 T C 2.082 177.013 174.700 0.385 0.000 1.039 721 T CA 1.794 64.120 62.100 0.376 0.000 1.153 721 T CB -0.357 68.575 68.868 0.106 0.000 0.863 721 T HN 0.564 nan 8.240 nan 0.000 0.428 722 S N 1.568 117.384 115.700 0.194 0.000 2.402 722 S HA -0.022 4.449 4.470 0.002 0.000 0.229 722 S C 2.097 176.840 174.600 0.239 0.000 1.021 722 S CA 0.721 59.039 58.200 0.197 0.000 0.974 722 S CB -0.520 62.734 63.200 0.091 0.000 0.800 722 S HN 0.277 nan 8.310 nan 0.000 0.484 723 M N 1.629 121.319 119.600 0.151 0.000 2.086 723 M HA -0.123 4.358 4.480 0.002 0.000 0.261 723 M C 1.999 178.439 176.300 0.234 0.000 1.067 723 M CA 1.863 57.235 55.300 0.120 0.000 1.116 723 M CB -1.097 31.483 32.600 -0.034 0.000 1.348 723 M HN 0.380 nan 8.290 nan 0.000 0.407 724 H N -0.775 118.503 119.070 0.348 0.000 2.357 724 H HA -0.068 4.489 4.556 0.002 0.000 0.301 724 H C 2.055 177.547 175.328 0.272 0.000 1.082 724 H CA 1.652 57.916 56.048 0.359 0.000 1.342 724 H CB -0.842 29.204 29.762 0.473 0.000 1.389 724 H HN 0.379 nan 8.280 nan 0.000 0.511 725 F N -0.022 120.179 119.950 0.418 0.000 2.134 725 F HA -0.239 4.289 4.527 0.002 0.000 0.299 725 F C 2.646 178.627 175.800 0.302 0.000 1.097 725 F CA 1.276 59.476 58.000 0.333 0.000 1.264 725 F CB -0.673 38.441 39.000 0.190 0.000 1.001 725 F HN 0.106 nan 8.300 nan 0.000 0.479 726 Y N 0.621 121.096 120.300 0.291 0.000 2.145 726 Y HA -0.123 4.428 4.550 0.002 0.000 0.286 726 Y C 2.488 178.459 175.900 0.117 0.000 1.145 726 Y CA 1.537 59.733 58.100 0.161 0.000 1.148 726 Y CB -0.977 37.562 38.460 0.132 0.000 0.981 726 Y HN 0.003 nan 8.280 nan 0.000 0.507 727 G N -0.720 108.235 108.800 0.259 0.000 2.418 727 G HA2 -0.341 3.620 3.960 0.002 0.000 0.217 727 G HA3 -0.341 3.620 3.960 0.002 0.000 0.217 727 G C 1.405 176.326 174.900 0.036 0.000 1.158 727 G CA 0.866 46.070 45.100 0.173 0.000 0.771 727 G HN 0.662 nan 8.290 nan 0.000 0.545 728 W N 1.620 122.759 121.300 -0.269 0.000 2.380 728 W HA 0.029 4.690 4.660 0.002 0.000 0.317 728 W C 2.428 178.681 176.519 -0.444 0.000 1.196 728 W CA 1.579 58.471 57.345 -0.755 0.000 1.307 728 W CB -0.270 28.557 29.460 -1.055 0.000 1.157 728 W HN 0.116 nan 8.180 nan 0.000 0.483 729 K N -0.066 119.974 120.400 -0.600 0.000 2.360 729 K HA -0.208 4.113 4.320 0.002 0.000 0.201 729 K C 1.798 178.098 176.600 -0.500 0.000 1.046 729 K CA 1.320 57.173 56.287 -0.724 0.000 0.945 729 K CB -0.230 32.027 32.500 -0.406 0.000 0.750 729 K HN 0.138 nan 8.250 nan 0.000 0.464 730 Q N -0.111 119.444 119.800 -0.408 0.000 2.444 730 Q HA 0.008 4.349 4.340 0.002 0.000 0.206 730 Q C 0.762 176.651 176.000 -0.185 0.000 0.948 730 Q CA 0.875 56.488 55.803 -0.317 0.000 0.946 730 Q CB 0.422 28.938 28.738 -0.369 0.000 1.027 730 Q HN 0.411 nan 8.270 nan 0.000 0.513 731 G N -0.572 108.052 108.800 -0.294 0.000 2.176 731 G HA2 -0.245 3.716 3.960 0.002 0.000 0.232 731 G HA3 -0.245 3.716 3.960 0.002 0.000 0.232 731 G C -0.159 174.566 174.900 -0.292 0.000 0.986 731 G CA 0.100 44.981 45.100 -0.365 0.000 0.643 731 G HN 0.284 nan 8.290 nan 0.000 0.522 732 L N 0.182 121.382 121.223 -0.038 0.000 2.483 732 L HA 0.230 4.572 4.340 0.002 0.000 0.276 732 L C 1.913 178.878 176.870 0.159 0.000 1.213 732 L CA 0.194 55.124 54.840 0.149 0.000 0.843 732 L CB 0.573 42.763 42.059 0.218 0.000 1.107 732 L HN 0.135 nan 8.230 nan 0.000 0.487 733 K N 0.730 121.221 120.400 0.152 0.000 2.099 733 K HA 0.056 4.377 4.320 0.002 0.000 0.203 733 K C 0.274 176.950 176.600 0.126 0.000 1.047 733 K CA 0.782 57.126 56.287 0.095 0.000 0.963 733 K CB 0.137 32.679 32.500 0.069 0.000 0.759 733 K HN 0.564 nan 8.250 nan 0.000 0.451 734 T N 0.099 114.739 114.554 0.144 0.000 2.749 734 T HA 0.246 4.597 4.350 0.002 0.000 0.287 734 T C 0.744 175.557 174.700 0.188 0.000 0.970 734 T CA -0.570 61.602 62.100 0.121 0.000 0.980 734 T CB 1.734 70.656 68.868 0.090 0.000 0.924 734 T HN 0.309 nan 8.240 nan 0.000 0.456 735 G N 2.463 111.375 108.800 0.187 0.000 2.656 735 G HA2 0.319 4.280 3.960 0.002 0.000 0.211 735 G HA3 0.319 4.280 3.960 0.002 0.000 0.211 735 G C 0.174 175.248 174.900 0.291 0.000 1.137 735 G CA 0.060 45.376 45.100 0.361 0.000 0.802 735 G HN 0.581 nan 8.290 nan 0.000 0.527 736 M N -0.949 118.774 119.600 0.206 0.000 2.365 736 M HA 0.433 4.914 4.480 0.002 0.000 0.288 736 M C -0.938 175.472 176.300 0.184 0.000 1.152 736 M CA -0.945 54.482 55.300 0.212 0.000 0.948 736 M CB 1.758 34.524 32.600 0.278 0.000 1.729 736 M HN 0.039 nan 8.290 nan 0.000 0.487 737 Y N 3.660 123.947 120.300 -0.022 0.000 2.976 737 Y HA 0.374 4.925 4.550 0.002 0.000 0.214 737 Y C -0.847 174.954 175.900 -0.165 0.000 0.927 737 Y CA 0.410 58.380 58.100 -0.216 0.000 1.000 737 Y CB -0.291 38.068 38.460 -0.169 0.000 1.069 737 Y HN 0.597 nan 8.280 nan 0.000 0.462 738 Y N 0.995 121.056 120.300 -0.400 0.000 2.309 738 Y HA 0.323 4.874 4.550 0.002 0.000 0.327 738 Y C -0.240 175.592 175.900 -0.113 0.000 1.172 738 Y CA -0.502 57.435 58.100 -0.272 0.000 1.280 738 Y CB 0.824 39.020 38.460 -0.439 0.000 1.234 738 Y HN 0.193 nan 8.280 nan 0.000 0.512 739 L N 5.737 127.033 121.223 0.122 0.000 2.315 739 L HA 0.326 4.667 4.340 0.002 0.000 0.283 739 L C -0.637 176.293 176.870 0.100 0.000 1.089 739 L CA -0.207 54.687 54.840 0.090 0.000 0.833 739 L CB -0.097 42.020 42.059 0.097 0.000 1.170 739 L HN 0.481 nan 8.230 nan 0.000 0.442 740 R N 3.579 124.068 120.500 -0.018 0.000 2.460 740 R HA 0.683 5.024 4.340 0.002 0.000 0.303 740 R C -0.243 176.227 176.300 0.283 0.000 0.968 740 R CA -0.236 55.887 56.100 0.038 0.000 0.889 740 R CB 1.730 31.858 30.300 -0.287 0.000 1.123 740 R HN 0.848 nan 8.270 nan 0.000 0.455 741 T N -2.622 112.136 114.554 0.339 0.000 2.778 741 T HA 0.323 4.674 4.350 0.002 0.000 0.293 741 T C 1.040 175.697 174.700 -0.071 0.000 1.144 741 T CA -0.932 61.299 62.100 0.218 0.000 1.010 741 T CB 2.166 71.087 68.868 0.090 0.000 1.325 741 T HN 0.517 nan 8.240 nan 0.000 0.515 742 R N -0.195 120.120 120.500 -0.309 0.000 2.096 742 R HA -0.101 4.240 4.340 0.002 0.000 0.240 742 R C 2.487 178.607 176.300 -0.300 0.000 1.139 742 R CA 1.927 57.767 56.100 -0.432 0.000 0.952 742 R CB -1.009 29.081 30.300 -0.350 0.000 0.854 742 R HN 0.792 nan 8.270 nan 0.000 0.436 743 A N 0.852 123.470 122.820 -0.336 0.000 1.873 743 A HA -0.083 4.238 4.320 0.002 0.000 0.215 743 A C 0.721 178.037 177.584 -0.446 0.000 1.186 743 A CA 1.246 52.996 52.037 -0.478 0.000 0.616 743 A CB -0.226 18.312 19.000 -0.769 0.000 0.823 743 A HN 0.549 nan 8.150 nan 0.000 0.442 744 H N 0.000 119.076 119.070 0.010 0.000 2.539 744 H HA 0.000 4.557 4.556 0.002 0.000 0.296 744 H CA 0.000 56.067 56.048 0.032 0.000 1.023 744 H CB 0.000 29.782 29.762 0.033 0.000 1.292 744 H HN 0.000 nan 8.280 nan 0.000 0.496